SCHEMBL283304

SCHEMBL283304

CCc1ccc(C[O])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP2A6 P11509 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
MGLL Q99685 2/20 0.44
PLK1 P53350 1/20 0.44
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAU P00749 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL36295 0.83 TP53 (0.67) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL5358862 0.83 ALDH1A1 (0.37) TP53ALDH1A1CA2MGLLSMN1; SMN2
Formaldehyde SCHEMBL27479517 0.80 TP53 (0.56) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL27373323 0.80 TP53 (0.56) TP53ALDH1A1CA2TAAR1CYP2A6
Hydrogen Sulfide SCHEMBL29290777 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL28166306 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL31498555 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL27756675 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL7542835 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6
SCHEMBL27339836 0.79 TP53 (0.62) TP53ALDH1A1CA2TAAR1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103554173-B The Organotransitionmetal complex of phenoxy group ester coordination and catalytic systems for polymerization of olefins thereof and the application in olefin polymerization of this catalyst system BEIJING INSTITUTE OF TECHNOLOGY (CN) 2016-01-27 CN claimed
CN-105198922-A Phenoxy ketone coordinated transition metal organic complex and olefin polymerization catalytic system thereof as well as application of system in olefin polymerization BEIJING INST TECHNOLOGY 2015-12-30 CN claimed
CN-103554173-A Phenoxy ester coordinated transition metal organic complex, olefin polymerization catalytic system comprising same and application of catalytic system to olefin polymerization BEIJING INST TECHNOLOGY 2014-02-05 CN claimed
CN-101341145-A Isoquinoline aminopyrazole derivatives, their manufacture and use as pharmaceutical agents for the treatment of cancer HOFFMANN LA ROCHE (CH) 2009-01-07 CN claimed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 US claimed
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 US claimed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US 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-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP 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-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL 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 (3 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-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 TP53 2084/4885ALDH1A1 3342/4885CA2 2784/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP TP53 4258/4885ALDH1A1 2624/4885CA2 4606/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT TP53 1952/4885ALDH1A1 2284/4885CA2 2852/4885

“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.