SCHEMBL93021

SCHEMBL93021

OCc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.45
KIF11 P52732 1/20 0.42
DAO P14920 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RIPK1 Q13546 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TSHR P16473 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
SCHEMBL2882526 0.86 CYP17A1 (0.47) CYP4F2CYP4A11HTTALDH1A1KIF11
SCHEMBL8670885 0.81 KIF11 (0.65) CYP4F2CYP4A11HTTKIF11CYP17A1
SCHEMBL28182676 0.80 CYP4F2 (0.47) CYP4F2CYP4A11KIF11MAOAMAOB
SCHEMBL522479 0.80 EGFR (0.43) CYP4F2CYP4A11HTTKIF11TSHR
SCHEMBL30986331 0.80 ALDH1A1 (0.52) HTTALDH1A1DAOCES2CES1
SCHEMBL19112370 0.80 HTT (0.44) CYP4F2CYP4A11HTTALDH1A1DAO
SCHEMBL30683156 0.80 CYP17A1 (0.46) CYP4F2CYP4A11ALDH1A1KIF11CYP17A1
SCHEMBL1390780 0.80 CYP17A1 (0.46) CYP4F2CYP4A11ALDH1A1KIF11CYP17A1
SCHEMBL1238835 0.80 ALDH1A1 (0.52) HTTALDH1A1DAOCES2CES1
SCHEMBL1952768 0.80 CA6 (0.52) CYP4F2CYP4A11ALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398950-B1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-08-11 EP claimed
CN-107087883-B Nail-beautifying aluminum foil and manufacturing method thereof 涿州皓原箔业有限公司 2020-10-09 CN claimed
US-10781214-B2 Kinase inhibitor against wild-type and mutant EGFR PRECEDO PHARMACEUTICALS CO., LTD. (CN) 2020-09-22 US claimed
CN-111303179-A Synthesis of norcantharidin carboxylic acid difluoro benzyl ester and anti-tumor application thereof 遵义医科大学 2020-06-19 CN claimed
CN-107901547-B A kind of multi-layer co-extruded plastics film of graphene and preparation method thereof 宁夏润龙包装新材料股份有限公司 2019-09-06 CN claimed
US-20190010159-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE AND MUTANT EGFR PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-01-10 US claimed
EP-3398950-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR Precedo Pharmaceuticals Co., Ltd. (CN) 2018-11-07 EP claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20100266958-A1 RESIST MATERIAL AND METHOD FOR FORMING PATTERN USING THE SAME PANASONIC CORPORATION (JP) 2010-10-21 US claimed
JP-4537315-B2 2010-09-01 JP 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-20190010159-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE AND MUTANT EGFR EGFR, ERBB2, ERBB3 CYP4F2 4078/4885CYP4A11 4531/4885HTT 4880/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CYP4F2 1537/4885CYP4A11 1735/4885HTT 1008/4885
US-10781214-B2 Kinase inhibitor against wild-type and mutant EGFR EGFR, ERBB2, ERBB3 CYP4F2 4096/4885CYP4A11 4476/4885HTT 4875/4885

“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.