SCHEMBL960143

SCHEMBL960143

O=C(CCCl)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
LMNA P02545 3/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
POLB P06746 2/20 0.77
GSK3B P49841 1/20 0.71
HPGD P15428 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CTNNB1 P35222 5/20 0.56
WNT3A P56704 4/20 0.56
HDAC1 Q13547 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL2209532 0.89 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2216212 0.87 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL4852587 0.87 HPGD (0.70) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL22721189 0.83 ALDH1A1 (0.83) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL230036 0.83
SCHEMBL6197414 0.82 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL3224084 0.82 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL6423116 0.82 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL8521100 0.82 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL10352206 0.80 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562253-B1 MODIFIED CARBONYL REDUCTASE, GENE THEREOF, AND METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOLS USING THESE KANEKA CORP (JP) 2017-08-02 EP claimed
US-8658400-B2 Biocatalysts for manufacturing duloxetine alcohol BASF SE (DE) 2014-02-25 US claimed
EP-2562253-A1 MODIFIED CARBONYL REDUCTASE, GENE THEREOF, AND METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOLS USING THESE Kaneka Corporation (JP) 2013-02-27 EP claimed
US-20110250655-A1 Biocatalysts For Manufacturing Duloxetine Alcohol BASF SE (DE) 2011-10-13 US claimed
EP-1670779-B1 METHODS FOR THE PRODUCTION OF 3-METHYLAMINO-1-(THIENE-2-YL)-PROPANE-1-OL BASF SE (DE) 2010-11-24 EP claimed
US-7790436-B2 Method for production of (1S)-3-chloro-1-(2-thienyl)-propan-1-ol using alcohol dehydrogenase from thermoanaerobacter BASF SE (DE) 2010-09-07 US claimed
EP-1969133-B1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE (1S)-3-CHLORO-1-(2-THIENYL)-PROPAN-1-OL BASF SE (DE) 2010-09-01 EP claimed
US-7498448-B2 Methods for the production of 3-methylamino-1-(thiene-2-yl)-propane-1-ol BASF AKTIENGESELLSCHAFT (DE) 2009-03-03 US claimed
US-20080319208-A1 Method for Production of Optically Active (1S)-3-Chloro-1-(2-Thienyl)-Propan-1-Ol BASF SE (DE) 2008-12-25 US claimed
EP-1969133-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE (1S)-3-CHLORO-1-(2-THIENYL)-PROPAN-1-OL BASF SE (DE) 2008-09-17 EP claimed
US-7365212-B2 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions ZACH SYSTEM S.P.A. (IT) 2008-04-29 US claimed
EP-1673375-B1 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG SIPSY (FR) 2007-08-01 EP claimed
WO-2007074060-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE (1S)-3-CHLORO-1-(2-THIENYL)-PROPAN-1-OL BASF SE (DE) 2007-07-05 WO claimed
US-20070083055-A1 Methods for the production of 3-methylamino-1-(thiene-2-yl)-propane-1-ol BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US claimed
US-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions PPG-SIPSY (FR) 2007-03-08 US claimed
EP-1670779-A2 METHODS FOR THE PRODUCTION OF 3-METHYLAMINO-1-(THIENE-2-YL)-PROPANE-1-OL BASF Aktiengesellschaft (DE) 2006-06-21 EP claimed
WO-2005033094-A2 METHODS FOR THE PRODUCTION OF 3-METHYLAMINO-1-(THIENE-2-YL)-PROPANE-1-OL BASF AKTIENGESELLSCHAFT (DE) 2005-04-14 WO claimed
CN-114763317-A Process for producing alcohol compound 财团法人工业技术研究院 2022-07-19 CN disclosed
EP-0411775-A1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-06 EP disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 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 (4 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-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions OGFR, OXSR1, OTC ALDH1A1 280/4885LMNA 603/4885KMT2A 1857/4885
US-20070083055-A1 Methods for the production of 3-methylamino-1-(thiene-2-yl)-propane-1-ol RNGTT, TALDO1, DERA ALDH1A1 369/4885LMNA 2202/4885KMT2A 1053/4885
US-20110250655-A1 Biocatalysts For Manufacturing Duloxetine Alcohol ADH5, ADH1A, ADH1C ALDH1A1 24/4885LMNA 3016/4885KMT2A 1283/4885
US-20080319208-A1 Method for Production of Optically Active (1S)-3-Chloro-1-(2-Thienyl)-Propan-1-Ol ADH1A, ADH1C, ADH5 ALDH1A1 4/4885LMNA 3491/4885KMT2A 4192/4885

“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.