SCHEMBL107339

SCHEMBL107339

COc1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 2/20 0.33
IMPDH2 P12268 1/20 0.33
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.32
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12089524 0.94 HSD17B10 (0.34) HSD17B10MEN1KMT2ACYP2C9IMPDH2
SCHEMBL12451104 0.92 HSD17B10 (0.41) HSD17B10MEN1KMT2ACYP2C9IMPDH2
SCHEMBL20197841 0.91 IMPDH2 (0.36) HSD17B10MEN1KMT2ACYP2C9IMPDH2
SCHEMBL16071629 0.88 HSD17B10 (0.32) HSD17B10MEN1KMT2ACYP2C9IMPDH2
SCHEMBL3763099 0.87 HSD17B10 (0.41) HSD17B10MEN1KMT2ACYP2C9CYP1A2
SCHEMBL5347077 0.85 MEN1 (0.32) HSD17B10MEN1KMT2A
SCHEMBL18879512 0.85 HSD17B10 (0.38) HSD17B10
SCHEMBL24258181 0.85 IMPDH2 (0.33) IMPDH2ACHE
SCHEMBL14877470 0.85 IMPDH2 (0.33) HSD17B10IMPDH2ACHE
SCHEMBL182607 0.83 HSD17B10 (0.40) HSD17B10MEN1KMT2ACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7014954-B2 Nonaqueous electrolyte secondary battery including vinylene carbonate and an antioxidant in the electrolyte SONY CORPORATION (JP) 2006-03-21 US claimed
EP-0939073-B1 Ester of 2,2-dimethyl-cyclopropanecarboxylic acid and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2002-12-04 EP claimed
US-20020037458-A1 Nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2002-03-28 US claimed
EP-1160905-A2 Nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2001-12-05 EP claimed
EP-0939073-A1 Ester of 2,2-dimethyl-cyclopropanecarboxylic acid and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-01 EP claimed
EP-0281439-B1 ESTERS OF CYCLOPROPANECARBOXYLIC ACIDS RELATED TO PYRETHRIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PARASITICIDES ROUSSEL-UCLAF (FR) 1991-06-12 EP claimed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
WO-2022204536-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
EP-3532458-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-01-20 EP disclosed
US-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 US disclosed
EP-3331860-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
US-20180170934-A1 FOLATE DERIVATIVES, USEFUL IN PARTICULAR IN THE CONTEXT OF THE FOLATE ASSAY bioMérieux (FR) 2018-06-21 US disclosed
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 US disclosed
CN-1090390-C Non-aqueous electrolyte secondary battery SONY CORP (JP) 2002-09-04 CN disclosed
US-20020037458-A1 Nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2002-03-28 US disclosed
CN-1326237-A Nonaqueous electrolyte secondary battery SONY CORP (JP) 2001-12-12 CN disclosed
EP-1160905-A2 Nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2001-12-05 EP disclosed
EP-0746050-B1 Non-aqueous electrolyte secondary battery SONY CORP (JP) 1999-08-11 EP disclosed
CN-1147704-A Non-aqueous electrolyte secondary battery SONY CORP (JP) 1997-04-16 CN disclosed
EP-0746050-A1 Non-aqueous electrolyte secondary battery SONY CORPORATION (JP) 1996-12-04 EP disclosed

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-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HSD17B10 725/4885MEN1 3135/4885KMT2A 3283/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS HSD17B10 442/4885MEN1 3898/4885KMT2A 4788/4885
US-20180170934-A1 FOLATE DERIVATIVES, USEFUL IN PARTICULAR IN THE CONTEXT OF THE FOLATE ASSAY FOLR2, FOLR1, DHFR HSD17B10 859/4885MEN1 1944/4885KMT2A 3326/4885

“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.