SCHEMBL2839880

SCHEMBL2839880

Oc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NQO2 P16083 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.45
IDO1 P14902 2/20 0.44
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
GAA P10253 1/20 0.41
CES2 O00748 2/20 0.41
MPL P40238 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGS1 P23219 1/20 0.39

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
SCHEMBL27495808 0.98 PDE2A (0.48) PDE2AMEN1KMT2ANQO2TMPRSS4
SCHEMBL5402962 0.86 HSD17B1 (0.41) PDE2AMEN1KMT2ANQO2KDM4E
SCHEMBL4829745 0.83 KIF11 (0.57) KIF11KDM4EHSD17B1HSD17B2
SCHEMBL29404893 0.82 ESR1 (0.52) PDE2AMEN1KMT2ANQO2KDM4E
SCHEMBL3681247 0.82 ESR1 (0.52) PDE2AMEN1KMT2ANQO2KDM4E
SCHEMBL104056 0.81 CA3 (0.52) PDE2AMEN1KMT2ANQO2TMPRSS4
SCHEMBL187014 0.80 NQO2 (0.61) MEN1KMT2ANQO2KIF11KDM4E
SCHEMBL17696924 0.79 TSHR (0.43) KDM4EHSD17B1HSD17B2
SCHEMBL4470436 0.79 ESR1 (0.52) MEN1KMT2ANQO2KDM4EHSD17B1
SCHEMBL544510 0.79 ESR1 (0.61) MEN1KMT2AHSD17B1HSD17B2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084634-A Preparation method of fluorine-containing ether and fluorine-containing ether 纯钧新材料(深圳)有限公司 2024-05-28 CN claimed
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
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-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
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-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-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-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-0103918-B1 PESTICIDAL BENZOYLUREA COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-29 EP claimed
EP-0103918-A2 Pesticidal benzoylurea compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-03-28 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 (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 PDE2A 4101/4885MEN1 2078/4885KMT2A 3655/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PDE2A 4624/4885MEN1 4405/4885KMT2A 3677/4885
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS APOB, LDLR, HDLBP PDE2A 1287/4885MEN1 3918/4885KMT2A 3373/4885

“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.