SCHEMBL1125329

SCHEMBL1125329

Oc1cccc(C(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
MPL P40238 3/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ADAMTS4 O75173 1/20 0.38
EGFR P00533 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
SCHEMBL25204545 0.82 HSD17B1 (0.32) HSD17B1HSD17B2MPLARADRB1
SCHEMBL7601747 0.82 MPL (0.46) MPLALDH1A1TDP1TSHRCA2
SCHEMBL17696926 0.79 TSHR (0.39) HSD17B1HSD17B2ALDH1A1TDP1TSHR
SCHEMBL12024755 0.79 ALDH1A1 (0.60) ALDH1A1TDP1TSHRADRB1ADRA2A
SCHEMBL5515511 0.78 ALDH1A1 (0.52) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL10698981 0.78 KIF11 (0.41) HSD17B1HSD17B2CTSS
SCHEMBL1064239 0.77 ALDH1A1 (0.46) ALDH1A1TDP1TSHRADRB1ADRA2A
SCHEMBL29492110 0.77 ALDH1A1 (0.56) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL69460 0.77 ALDH1A1 (0.56) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL4891656 0.76 HSD17B1 (0.41) HSD17B1HSD17B2ARALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS PFIZER INC. 2010-05-27 US claimed
WO-2010002175-A2 RESIN COMPOSITION FOR CLADDING OF OPTICAL FIBER SSCP CO., LTD. (KR) 2010-01-07 WO claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
EP-1856060-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS Pfizer Products Inc. (US) 2007-11-21 EP claimed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 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
WO-2006090250-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-08-31 WO 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-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 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-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
EP-0606858-A1 Liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 1994-07-20 EP 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 (2 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 HSD17B1 1086/4885HSD17B2 2104/4885MPL 4649/4885
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS APOB, LDLR, HDLBP HSD17B1 987/4885HSD17B2 1656/4885MPL 45/4885

“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.