SCHEMBL197729

SCHEMBL197729

CC(=O)Oc1cc(Br)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.50
KDM4E B2RXH2 5/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
GGT1 P19440 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
TNFSF11 O14788 1/20 0.40

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
SCHEMBL3453790 0.86 TSHR (0.58) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL4314746 0.84 CFD (0.55) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL3654634 0.82 CFD (0.49) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL8895553 0.82 ACHE (0.59) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL1603755 0.81 TSHR (0.62) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL8072854 0.81 CFD (0.47) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL16422763 0.81 CYP4F2 (0.60) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL10119527 0.81 CFD (0.51) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL3325627 0.81 TNFSF11 (0.55) CFDKDM4ETSHRALDH1A1PTGS1
SCHEMBL17423673 0.81 CFD (0.47) CFDKDM4ETSHRALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104693019-A Method for preparing 2, 5-dibromo-benzene acetic acid NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2015-06-10 CN claimed
CN-104693019-B Method for preparing 2, 5-dibromo-benzene acetic acid 宁波九胜创新医药科技有限公司 2017-02-01 CN disclosed
CN-104693019-B Method for preparing 2, 5-dibromo-benzene acetic acid 宁波九胜创新医药科技有限公司 2017-02-01 CN disclosed
CN-102712634-B Heteroaryl piperidine and heteroaryl bridged piperazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
CN-104693019-A Method for preparing 2, 5-dibromo-benzene acetic acid NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2015-06-10 CN disclosed
CN-104693019-A Method for preparing 2, 5-dibromo-benzene acetic acid NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2015-06-10 CN disclosed
CN-104693019-A Method for preparing 2, 5-dibromo-benzene acetic acid NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2015-06-10 CN disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 US disclosed
EP-1995265-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 EP disclosed
EP-1857482-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 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-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CFD 2487/4885KDM4E 2705/4885TSHR 368/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R CFD 3340/4885KDM4E 2756/4885TSHR 69/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 CFD 2677/4885KDM4E 1426/4885TSHR 307/4885

“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.