SCHEMBL316182

SCHEMBL316182

COc1ccc(C(O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC5A2 P31639 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
IGF1R P08069 1/20 0.43
ACP3 P15309 1/20 0.42

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
SCHEMBL2311681 1.00 AOC3 (0.59) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL930984 1.00 AOC3 (0.59) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL3918376 0.84 GAA (0.56) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL3918374 0.84 GAA (0.56) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL327629 0.83 AOC3 (0.63) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL30949075 0.82 GAA (0.55) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL30949068 0.82 GAA (0.55) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL4372787 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL615718 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL2517919 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
CN-1926083-B Manufacturing method of optical activity alcohol KANTO KAGAKU 2010-12-08 CN disclosed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP disclosed
US-7601667-B2 Ruthenium/iridium complexes; hydrogenation catalysts KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-10-13 US disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
US-20080234525-A1 Ruthenium/iridium complexes; hydrogenation catalysts NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-09-25 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
EP-0792936-B1 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol MITSUBISHI CHEM CORP (JP) 2003-01-29 EP disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP disclosed
EP-0493617-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL KANEGAFUCHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5841001-A ALLOWING 2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL TO CONTACT ENZYME STEREOSELECTIVELY CATALYZING ESTER INTERCHANGE IN PRESENCE OF CARBOXYLIC ANHYDRIDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
EP-0792936-A2 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol Mitsubishi Chemical Corporation (JP) 1997-09-03 EP disclosed
US-5266485-A Biosynthesis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed
EP-0493617-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-08 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK AOC3 954/4885ALDH1A1 1488/4885MAPT 1744/4885
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A AOC3 725/4885ALDH1A1 76/4885MAPT 3024/4885
US-20080234525-A1 Ruthenium/iridium complexes; hydrogenation catalysts ADH5, ADH1A, ADH1C AOC3 1743/4885ALDH1A1 81/4885MAPT 2163/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 AOC3 4382/4885ALDH1A1 2682/4885MAPT 60/4885

“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.