SCHEMBL1496667

SCHEMBL1496667

CCC(O)CSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
FFAR1 O14842 1/20 0.42
BACE1 P56817 3/20 0.41
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39

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
Alcohol SCHEMBL914156 0.88 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL916141 0.87 MAOA (0.56) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1496607 0.84 BACE1 (0.47) MAOAMAOBALDH1A1CA1CA2
SCHEMBL14565232 0.83 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1496802 0.81 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL6482093 0.81 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL6543393 0.81 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1496771 0.81 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL21023760 0.80 ALDH1A1 (0.38) MAOAMAOBALDH1A1CA1CA2
SCHEMBL1496567 0.80 HPGD (0.41) ALDH1A1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374791-B Method for producing optically active alcohol compound SUMITOMO CO LTD 2012-07-18 CN disclosed
CN-101374792-B Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO 2012-03-28 CN disclosed
US-7906667-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-15 US disclosed
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-7728179-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-01 US disclosed
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
CN-101374791-A Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO (JP) 2009-02-25 CN disclosed
CN-101374792-A Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO (JP) 2009-02-25 CN disclosed
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1982972-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP disclosed
EP-1982973-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP disclosed
CN-1923806-A Preparation method of optically active 4-phenylthio-2-butanol SHANGHAI JULONG PHARMACEUTICAL (CN) 2007-03-07 CN disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 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 (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-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 MAOA 2068/4885MAOB 1978/4885MTNR1A 2533/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 MAOA 2149/4885MAOB 2059/4885MTNR1A 1680/4885

“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.