Sugi Predict

Sugi Predict / Compounds / SCHEMBL6281628

SCHEMBL6281628

SCHEMBL6281628

CCc1cc(OC2CCCCC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAOB P27338 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CSNK2A1 P68400 2/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ PPARG P37231 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5669775 0.85 L3MBTL1 (0.44) L3MBTL1SLC6A4HTR2AKCNH2KDM4E
SCHEMBL912144 0.80 SLC6A4 (0.51) L3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL912145 0.80 SLC6A4 (0.51) L3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL29502939 0.79 MAOB (0.43) HPGDMAOBMTNR1AMAOAALDH1A1
SCHEMBL18702824 0.79 MAOB (0.43) HPGDMAOBMTNR1AMAOAALDH1A1
SCHEMBL16484216 0.77 NPC1 (0.47) HPGDMAOBSLC6A4KDM4ESLC6A2
SCHEMBL16483395 0.73 NPC1 (0.47) HPGDSLC6A4KDM4ESLC6A2SLC6A3
SCHEMBL27553096 0.73 SLC6A2 (0.46) HPGDMAOBSLC6A4ALDH1A1SLC6A2
SCHEMBL16464848 0.73 SLC6A2 (0.46) HPGDMAOBSLC6A4ALDH1A1SLC6A2
SCHEMBL17125202 0.73 PTGS1 (0.48) HPGDSLC6A4SLC6A2SLC6A3PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-08-19 — — US claimed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US claimed
JP-2004505014-A — — 2004-02-19 — — JP claimed
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-01-08 — — US claimed
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 — — US claimed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 — — US claimed
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade SOUTH MICHAEL S (US) 2003-12-04 — — US claimed
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-11-20 — — US claimed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US claimed
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHAMACIA CORPORATION 2002-02-21 — — US claimed
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-01-24 — — US claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 — — WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 — — US claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 L3MBTL1 4046/4885HPGD 933/4885MAOB 397/4885
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 L3MBTL1 3669/4885HPGD 753/4885MAOB 202/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP L3MBTL1 1947/4885HPGD 3157/4885MAOB 1494/4885
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT L3MBTL1 3251/4885HPGD 951/4885MAOB 163/4885
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 L3MBTL1 3032/4885HPGD 355/4885MAOB 190/4885
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT L3MBTL1 3517/4885HPGD 1086/4885MAOB 109/4885
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 L3MBTL1 3032/4885HPGD 355/4885MAOB 190/4885
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 L3MBTL1 3032/4885HPGD 355/4885MAOB 190/4885
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 L3MBTL1 3032/4885HPGD 355/4885MAOB 190/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT L3MBTL1 3251/4885HPGD 951/4885MAOB 163/4885
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 L3MBTL1 4046/4885HPGD 933/4885MAOB 397/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT L3MBTL1 3251/4885HPGD 951/4885MAOB 163/4885
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 L3MBTL1 4046/4885HPGD 933/4885MAOB 397/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.