SCHEMBL98267

SCHEMBL98267

O[C@@H](CCl)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.48
ADRB1 P08588 4/20 0.48
ADRB2 P07550 2/20 0.48
SLC2A1 P11166 2/20 0.47
IDO1 P14902 2/20 0.46
LMNA P02545 1/20 0.45
ACP3 P15309 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL1560927 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL3917396 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL1154749 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL767795 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL2879198 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL3922600 0.84 LMNA (0.46) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL3146631 0.84 LMNA (0.46) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL7105071 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL8098427 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL7107297 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104450801-A Application of double-enzyme method to asymmetric preparation of (R)-2-chloro-1-(3-chlorphenyl) ethyl alcohol UNIV JIANGNAN 2015-03-25 CN claimed
CN-102344947-A Biological enzyme resolution method for preparing (R)-2-chloro-1-(3-chlorphenyl) ethanol with high optical purity CHONGQING HUIJIAN BIO TECHNOLOGY CO LTD 2012-02-08 CN claimed
US-8008461-B2 Carbonyl reductase, gene therefor and use thereof KANEKA CORPORATION (JP) 2011-08-30 US claimed
CN-101302552-B Method for preparing (R)-2-chlorin-1-(3-chlorphenyl) ethanol by microorganism catalysis CHONGQING PORTON TECHNOLOGY CO LTD 2010-12-29 CN claimed
US-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof KANEKA CORPORATION (JP) 2009-01-29 US claimed
EP-1505155-B1 CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORP (JP) 2008-12-03 EP claimed
CN-101302552-A Method for preparing (R)-2-chlorin-1-(3-chlorphenyl) ethanol by microorganism catalysis CHONGQING PORTON TECHNOLOGY CO (CN) 2008-11-12 CN claimed
US-7332312-B2 Polynucleotide encoding a polypeptide having activity in asymmetrically reducing 2-chloro-1-(3'-chlorophenyl)ethanone, for producing optically active 3-hydroxy ester derivatives KANEKA CORPORATION (JP) 2008-02-19 US claimed
EP-1811021-A1 NOVEL CARBONYL REDUCTASE, GENE THEREFOR AND USE THEREOF Kaneka Corporation (JP) 2007-07-25 EP claimed
US-20070037263-A1 Novel acetoacetyl-coa reductase and process for producing optically active alcohol KANEKA CORPORATION (JP) 2007-02-15 US 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
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
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 disclosed
US-9040265-B2 Oxidoreductases for the stereoselective reduction of keto compounds IEP GMBH (DE) 2015-05-26 US disclosed
EP-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP disclosed
US-5495054-A REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT SEPRACOR, INC. (US) 1996-02-27 US disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO 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-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof AKR1C4, CBR3, FAR1 ADRB3 2460/4885ADRB1 2637/4885ADRB2 3635/4885
US-20060046289-A1 Novel carbonyl reductase, gene thereof and use of the same CBR3, CBR1, ADH1C ADRB3 2609/4885ADRB1 2248/4885ADRB2 2913/4885

“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.