SCHEMBL10174261

SCHEMBL10174261

CCOC(=O)C(C)c1cccc(CBr)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP8 P22894 2/20 0.40
LMNA P02545 2/20 0.39
MEP1B Q16820 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2917051 0.86 PTGS1 (0.56) CYP4F2CYP4A11PTGS1PTGS2L3MBTL1
SCHEMBL17083283 0.85 LOXL2 (0.45) PTGS1PTGS2L3MBTL1MAPK1TSHR
Hydrochloric Acid SCHEMBL17077498 0.84 LOXL2 (0.44) PTGS1PTGS2L3MBTL1MAPK1TSHR
SCHEMBL11067869 0.84 PTGS1 (0.47) PTGS1PTGS2L3MBTL1MMP8LMNA
SCHEMBL5216236 0.82 APP (0.44) CYP4F2CYP4A11PTGS1PTGS2ALDH1A1
SCHEMBL27697908 0.82 PTGS1 (0.40) CYP4F2CYP4A11PTGS1PTGS2MAPK1
SCHEMBL11189555 0.81 ALDH1A1 (0.46) PTGS1PTGS2MAPK1TSHRMMP8
SCHEMBL2391075 0.81 PTGS2 (0.54) PTGS1PTGS2MAPK1TSHRLMNA
SCHEMBL3242802 0.81 PTGS2 (0.54) PTGS1PTGS2MAPK1TSHRLMNA
SCHEMBL4210524 0.81 PTGS1 (0.45) PTGS1PTGS2L3MBTL1TSHRTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106381092-A Environment-friendly all-purpose adhesive 无锡万能胶粘剂有限公司 2017-02-08 CN claimed
CN-108586233-A The method for synthesizing 2- (4 ' -2-bromomethylphenyl) propionic ester 湖北迅达药业股份有限公司 2018-09-28 CN disclosed
CN-105214692-B Supported solid catalyst and preparation method thereof and its application 湖北迅达药业股份有限公司 2017-09-29 CN disclosed
CN-106381092-A Environment-friendly all-purpose adhesive 无锡万能胶粘剂有限公司 2017-02-08 CN disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
CN-101062892-A Synthesis of 2-(4-Bromomethylphenyl) ethylformic acid HANGZHOU PENTATOMIC SCIENCE & (CN) 2007-10-31 CN 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 CYP4F2 455/4885CYP4A11 24/4885PTGS1 1141/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CYP4F2 387/4885CYP4A11 15/4885PTGS1 946/4885

“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.