SCHEMBL93061

SCHEMBL93061

OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.58
PTPN7 P35236 6/20 0.49
DUSP3 P51452 6/20 0.49
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
EPHX1 P07099 1/20 0.43
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
P2RX7 Q99572 3/20 0.40
VNN1 O95497 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL10299813 1.00 KIF11 (0.58) KIF11PTPN7DUSP3NR3C2AR
SCHEMBL29875866 1.00 KIF11 (0.58) KIF11PTPN7DUSP3NR3C2AR
SCHEMBL3637053 0.84 NR3C2 (0.49) KIF11PTPN7DUSP3NR3C2AR
SCHEMBL17414234 0.83 KIF11 (0.44) KIF11PTPN7DUSP3NR3C2AR
SCHEMBL92971 0.83 KIF11 (0.73) KIF11CYP4F2CYP4A11P2RX7
SCHEMBL1994099 0.83 KIF11 (0.56) KIF11ARCYP4F2CYP4A11
SCHEMBL30368288 0.83 KIF11 (0.56) KIF11ARCYP4F2CYP4A11
SCHEMBL10662203 0.83 PTPN7 (0.47) KIF11PTPN7DUSP3NR3C2AR
SCHEMBL26074532 0.82 CYP4F2 (0.46) KIF11PTPN7DUSP3ARCYP4F2
SCHEMBL81056 0.81 NR3C2 (0.47) KIF11PTPN7DUSP3NR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3547414-B1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP claimed
EP-3664213-B1 ELECTROLYTE FOR LITHIUM METAL BATTERY AND LITHIUM METAL BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP claimed
US-11495824-B2 Electrolyte for lithium metal battery and lithium metal battery comprising same LG ENERGY SOLUTION, LTD. (KR) 2022-11-08 US claimed
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN claimed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN claimed
EP-3664213-A2 ELECTROLYTE FOR LITHIUM METAL BATTERY AND LITHIUM METAL BATTERY COMPRISING SAME LG Chem, Ltd. (KR) 2020-06-10 EP claimed
US-20190319272-A1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-17 US claimed
EP-3547414-A2 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG Chem, Ltd. (KR) 2019-10-02 EP 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-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 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 (1 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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP KIF11 4755/4885PTPN7 3654/4885DUSP3 3755/4885

“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.