SCHEMBL11570

SCHEMBL11570

CC(=O)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.68
CES1 P23141 3/20 0.68
MAOB P27338 5/20 0.56
SNCA P37840 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 2/20 0.45
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL29372550 1.00 CES2 (0.68) CES2CES1MAOBSNCAL3MBTL1
Acetonitrile SCHEMBL27854605 0.90 CES2 (0.57) CES2CES1MAOBSNCAL3MBTL1
SCHEMBL7777968 0.83 CES2 (0.76) CES2CES1MAOBSNCAL3MBTL1
SCHEMBL5210142 0.82 CES2 (0.52) CES2CES1MAOBKMT2AMAPK14
SCHEMBL5750296 0.82 CES2 (0.52) CES2CES1MAOBSNCAMAOA
SCHEMBL364307 0.82 CES2 (0.68) CES2CES1MAOBMAOA
SCHEMBL29766689 0.82 CES2 (0.68) CES2CES1MAOBMAOA
SCHEMBL8070666 0.81 CES2 (1.00) CES2CES1SNCAL3MBTL1
SCHEMBL18242037 0.81 CES2 (0.60) CES2CES1MAOBSNCAL3MBTL1
SCHEMBL13291390 0.81 CES2 (0.74) CES2CES1SNCAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671737-B Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2023-10-24 CN claimed
CN-115073276-A Preparation and control method of posaconazole main ring impurity 济南大学 2022-09-20 CN claimed
CN-114671737-A Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2022-06-28 CN claimed
CN-111606848-A Preparation method of fluorodiphenyl substituted pyridine compound 广西民族大学 2020-09-01 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US claimed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US claimed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US claimed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US claimed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO claimed
EP-0734369-B1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF ANTIFUNGAL AGENTS SCHERING CORP (US) 1998-11-18 EP claimed
EP-0536512-B1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST MARION ROUSSEL INC (US) 1997-11-05 EP claimed
EP-0734369-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF ANTIFUNGAL AGENTS SCHERING CORPORATION (US) 1996-10-02 EP claimed
EP-0694519-A1 Process for the preparation of 2,4-difluoroacetophenone HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP claimed
WO-1995016658-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF ANTIFUNGAL AGENTS SCHERING CORPORATION (US) 1995-06-22 WO claimed
US-5349099-A Process for preparing intermediates for the synthesis of antifungal agents SCHERING CORPORATION (US) 1994-09-20 US claimed
EP-0536512-A1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-04-14 EP claimed
EP-0243000-B1 POLYCYANOARYL ETHER, METHOD FOR PREPARING THE SAME AND USES THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-03 EP claimed
EP-0243000-A1 Polycyanoaryl ether, method for preparing the same and uses thereof IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-28 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 (4 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CES2 2785/4885CES1 327/4885MAOB 455/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CES2 2722/4885CES1 317/4885MAOB 479/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CES2 2722/4885CES1 317/4885MAOB 479/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CES2 2722/4885CES1 317/4885MAOB 479/4885

“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.