SCHEMBL95486

SCHEMBL95486

O=[C]c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFE2L2 Q16236 2/20 0.34
GRM5 P41594 4/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
KDM4E B2RXH2 1/20 0.32
AHR P35869 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL96914 0.80 CES2 (0.43) CES2CES1CA3CA6CA5A
SCHEMBL27613550 0.78 PTGDR2 (0.40) ALDH1A1TDP1
SCHEMBL6150149 0.76 ALDH1A1 (0.50) CES2CES1CA6CA5ACA9
SCHEMBL6212276 0.76 PTGDR2 (0.36) CES2CES1CA3CA6CA5A
SCHEMBL6211823 0.76 NFE2L2 (0.36) ALDH1A1TDP1NFE2L2CYP1A2CYP2A6
SCHEMBL3729165 0.76 TRPA1 (0.35) CES2CES1NFE2L2
SCHEMBL718612 0.75 CA3 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL16952199 0.75 CA3 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL4511873 0.75 CA3 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL74807 0.75 TRPV4 (0.46) CES2CES1CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 EP claimed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US claimed
EP-2686009-B1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES PASTEUR INSTITUT (FR) 2015-04-29 EP claimed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP claimed
US-20140378652-A9 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-12-25 US claimed
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 WO claimed
US-20140171618-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CENTRE MATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-19 US claimed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US claimed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 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 (10 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 4462/4885CA3 1795/4885
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 CES2 2621/4885CES1 3420/4885CA3 4232/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CES2 183/4885CES1 28/4885CA3 2257/4885
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 CES2 503/4885CES1 29/4885CA3 4005/4885
US-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 CES2 207/4885CES1 53/4885CA3 4559/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA CES2 2426/4885CES1 4206/4885CA3 3169/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CES2 4108/4885CES1 4462/4885CA3 1795/4885
US-20140378652-A9 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CD4, MICA, MUC1 CES2 2857/4885CES1 1378/4885CA3 690/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CES2 4063/4885CES1 4830/4885CA3 1501/4885
US-20140171618-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CD4, MICA, MUC1 CES2 2857/4885CES1 1378/4885CA3 690/4885

“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.