SCHEMBL97933

SCHEMBL97933

O=C(CCl)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
ALDH1A1 P00352 3/20 0.59
GSK3B P49841 2/20 0.59
MAPK1 P28482 2/20 0.59
HIF1A Q16665 2/20 0.59
TRPA1 O75762 1/20 0.59
PARP1 P09874 1/20 0.59
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
IDO1 P14902 2/20 0.47
CXCR3 P49682 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL29621003 1.00 ERCC5 (0.62) ERCC5FEN1ALDH1A1GSK3BMAPK1
SCHEMBL4565219 1.00 ERCC5 (0.62) ERCC5FEN1ALDH1A1GSK3BMAPK1
Hydrogen Peroxide SCHEMBL28819321 0.98 ERCC5 (0.66) ERCC5FEN1ALDH1A1GSK3BMAPK1
SCHEMBL29962144 0.85 ERCC5 (0.76) ERCC5FEN1MAPK1PARP1MAPT
SCHEMBL11791699 0.85 ERCC5 (0.76) ERCC5FEN1MAPK1PARP1MAPT
SCHEMBL2598234 0.84 ERCC5 (0.59) ERCC5FEN1ALDH1A1PARP1GAA
SCHEMBL1266993 0.83 ERCC5 (0.62) ERCC5FEN1ALDH1A1PARP1GAA
SCHEMBL1712221 0.83 ERCC5 (0.62) ERCC5FEN1ALDH1A1PARP1GAA
SCHEMBL14101616 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1PARP1GAA
SCHEMBL8286976 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1PARP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110964705-A Novel application of (R) -omega-transaminase mutant 浙江科技学院 2020-04-07 CN claimed
CN-108047102-B 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method 湘潭大学 2019-06-07 CN claimed
CN-109721560-A A kind of preparation method of irsogladine maleate 于鹏 2019-05-07 CN claimed
CN-108991018-A Summer black grape special production-increase agent and preparation method thereof 兰溪市顺光园艺技术有限公司 2018-12-14 CN claimed
CN-108887265-A Promote the regulator of plant failure cell fast-growth 金华市景和科技有限公司 2018-11-27 CN claimed
CN-104450801-B A kind of two enzymes method asymmetry prepares the application of (R) 2 chlorine 1 (3 chlorphenyl) ethanol 江南大学 2018-04-13 CN claimed
CN-103420946-B A kind of separation method of epoxychloropropane 中国石油化工股份有限公司 2016-08-03 CN claimed
CN-104628537-A Synthetic process of 2,5-dichlorophenol WUHAN INST TECHNOLOGY 2015-05-20 CN claimed
CN-104592022-A Method for preparing 2, 5-dichlorobenzene acetate ANHUI SEALONG BIOTECHNOLOGY CO LTD 2015-05-06 CN claimed
CN-104591973-A Preparation method of 2,5-dichlorophenol ANHUI SEALONG BIOTECHNOLOGY CO LTD 2015-05-06 CN claimed
WO-2006087235-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2006-08-24 WO claimed
EP-1688480-A2 NOVEL ACETOACETYL-CoA REDUCTASE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANEKA CORPORATION (JP) 2006-08-09 EP claimed
US-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same KANEKA CORPORATION (JP) 2006-03-02 US claimed
US-20060035357-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2006-02-16 US claimed
EP-1553170-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2005-07-13 EP claimed
EP-1505155-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORPORATION (JP) 2005-02-09 EP claimed
US-20040219658-A1 Process for producing optically active (r)-2-chloro-1-(3'-chlorophenly) ethanol KANEKA CORPORATION (JP) 2004-11-04 US claimed
EP-1400594-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (R)-2-CHLORO-1-(3'-CHLOROPHENYL)ETHA NOL KANEKA CORPORATION (JP) 2004-03-24 EP claimed
EP-1007501-A1 PROCESS FOR PRODUCING DIPHENYLETHERS AND ESTERS THE DOW CHEMICAL COMPANY (US) 2000-06-14 EP claimed
WO-1999010310-A1 PROCESS FOR PRODUCING DIPHENYLETHERS AND ESTERS THE DOW CHEMICAL COMPANY (US) 1999-03-04 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 (1 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-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same CBR3, CBR1, ADH1C ERCC5 3328/4885FEN1 1043/4885ALDH1A1 123/4885

“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.