SCHEMBL357469

SCHEMBL357469

O=[C]c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.43
CES1 P23141 6/20 0.43
BCHE P06276 1/20 0.43
HPGD P15428 1/20 0.37
HDAC4 P56524 1/20 0.34
BCAT1 P54687 1/20 0.33
LMNA P02545 1/20 0.32
REV1 Q9UBZ9 1/20 0.32
ALB P02768 1/20 0.31
ERN1 O75460 1/20 0.31
DAO P14920 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PKM P14618 1/20 0.30
PKLR P30613 1/20 0.30
PTGES2 Q9H7Z7 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
SCHEMBL28558 0.79
SCHEMBL7705802 0.78 CES2 (0.36) CES2CES1BCHEHPGDALB
SCHEMBL2052718 0.77 CES2 (0.41) CES2CES1BCHE
SCHEMBL97028 0.76 CYP3A4 (0.40) CES2CES1BCHEHDAC4DAO
SCHEMBL9671253 0.76 CES2 (0.34) CES2CES1BCHEDAO
SCHEMBL1145126 0.76 TSHR (0.38) HPGDHDAC4
SCHEMBL2045858 0.76 CES2 (0.34) CES2CES1BCHE
SCHEMBL2045854 0.76 IDO1 (0.37) LMNAPTGES2
SCHEMBL1004626 0.75 CES2 (0.38) CES2CES1BCHEBCAT1ALB
SCHEMBL158537 0.75 BCAT1 (0.49) CES2CES1BCHEHPGDBCAT1

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 225 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
CN-114479064-B Antibacterial polyaryletherketone night-grinding tooth jaw pad and preparation method thereof 吉林省登泰克牙科材料有限公司 2024-01-02 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
CN-115611855-A Nicotinamide type compound and application thereof in preparation of weight-losing medicine 西北大学 2023-01-17 CN 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-110156646-B Method for synthesizing difluoroalkyl or difluoromethyl sulfur (selenium) -containing compound 台州学院 2021-02-26 CN claimed
CN-109952301-A 5-HT2C receptor agonists and compositions and methods of use 艾尼纳制药公司 2019-06-28 CN claimed
US-9938312-B2 Compounds and methods for chemical and chemo-enzymatic synthesis of complex glycans UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-04-10 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
WO-2010117803-A2 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-10-14 WO claimed
EP-2089425-A2 ANTI-ANGIOGENIC COMPOUNDS CovX Technologies Ireland Limited (IE) 2009-08-19 EP claimed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP claimed
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting COVX TECHNOLOGY IRELAND, LTD. (IE) 2008-07-10 US claimed
WO-2008056346-A2 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-05-15 WO claimed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US claimed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 EP claimed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO claimed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 WO claimed
EP-0596917-B1 BENZIMIDAZOLE ANTHELMINTICS PFIZER LTD (GB) 1998-10-28 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 (5 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C CES2 405/4885CES1 1510/4885BCHE 1338/4885
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting TEK, KDR, FLT4 CES2 4310/4885CES1 3423/4885BCHE 4472/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CES2 4108/4885CES1 4462/4885BCHE 3781/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CES2 4063/4885CES1 4830/4885BCHE 2848/4885

“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.