SCHEMBL95707

SCHEMBL95707

O=[C]c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
BCHE P06276 1/20 0.37
ALB P02768 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
ACHE P22303 1/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TTR P02766 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NFE2L2 Q16236 1/20 0.32
FEN1 P39748 1/20 0.31

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
SCHEMBL7705802 0.85 CES2 (0.36) CES2CES1BCHEALBERN1
SCHEMBL7156428 0.83 CES2 (0.39) CES2CES1BCHEALBERN1
SCHEMBL21201383 0.83 ACHE (0.48) CES2CES1BCHEALDH1A1PKM
SCHEMBL6151711 0.83 CYP3A4 (0.35) CES2CES1BCHEALDH1A1HPGD
SCHEMBL535572 0.83 TAAR1 (0.41) CES2CES1ALDH1A1KDM4EHPGD
SCHEMBL7703149 0.81 CES2 (0.31) CES2CES1
SCHEMBL2960326 0.78 NFE2L2 (0.43) BCHEALDH1A1KDM4EACHEHPGD
SCHEMBL8994176 0.74 CES2 (0.37) CES2CES1BCHE
SCHEMBL18245283 0.71 CES2 (0.36) CES2CES1BCHEALBERN1
SCHEMBL95722 0.71 CES2 (0.37) CES2CES1ERN1ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
CN-110483328-A 2,6- bis- (amino-benzene oxygen)-N- [4- (phenylazo) phenyl] benzamide monomer and preparation method ANYANG INST TECH 2019-11-22 CN claimed
CN-110437096-A The preparation method of 2,6- bis- (amino-benzene oxygen)-N- (2- aminofluorene) benzamide monomer ANYANG INST TECH 2019-11-12 CN claimed
US-10172350-B2 Substituted 5-hydroxy-2-phenyl-3-heteroaryl pentanenitrile derivatives, method for the production thereof and use thereof as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-08 US claimed
CN-108864075-A A kind of isothiazole connection thiazole and its preparation method and application 南开大学 2018-11-23 CN claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
WO-1997036485-A1 INSECTICIDAL COMBINATION EFFECTIVE AGAINST FLEAS ON MAMMALS, PARTICULARLY CATS AND DOGS MERIAL (FR) 1997-10-09 WO claimed
EP-0560268-B1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-04 EP claimed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
EP-0323637-B1 L(-) 2,6-DIFLUOROBENZOIC-N-(1,1,1-TRIFLUORO-PROP-2-YL)AMIDE BAYER AG (DE) 1992-12-16 EP claimed
EP-0281186-B1 PROCESS FOR THE PREPARATION OF A BENZOIC ACID DERIVATIVE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-10-28 EP claimed
EP-0189960-B1 NOVEL INSECTICIDAL 1,3-THIAZOLE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-04-24 EP claimed
EP-0271923-B1 N-(2,6-difluorobenzoyl)-N'-3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy) ethoxy] phenyl urea having insecticidal activity ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1990-08-22 EP claimed
EP-0323637-A1 L(-) 2,6-difluorobenzoic-N-(1,1,1-trifluoro-prop-2-yl)amide BAYER AG (DE) 1989-07-12 EP claimed
EP-0088343-B1 UREA DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-07-03 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-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 CES2 4108/4885CES1 4462/4885BCHE 3781/4885
US-10172350-B2 Substituted 5-hydroxy-2-phenyl-3-heteroaryl pentanenitrile derivatives, method for the production thereof and use thereof as herbicides and/or plant growth regulators HPD, HAAO, GRHPR CES2 585/4885CES1 309/4885BCHE 691/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CES2 4108/4885CES1 4462/4885BCHE 3781/4885

“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.