SCHEMBL1496744

SCHEMBL1496744

OC(CBr)COc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.54
KCNH2 Q12809 3/20 0.53
CACNA1G O43497 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
NPY1R P25929 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SCN4A P35499 2/20 0.46
MAPT P10636 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
SCHEMBL14901597 0.84 ALDH1A1 (0.49) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL14901593 0.84 MAPT (0.47) CYP1A2MAPK1ALDH1A1TSHRMAPT
SCHEMBL1496796 0.82 MAPK1 (0.59) MAPK1ALDH1A1TSHRKMT2AMEN1
SCHEMBL93836 0.82 CYP1A2 (0.60) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL1496562 0.82 CYP1A2 (0.60) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL21194 0.82 CYP1A2 (0.60) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL6938286 0.81 CYP1A2 (0.63) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL8799683 0.81 CYP1A2 (0.63) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL773201 0.81 CYP1A2 (0.63) CYP1A2MAPK1KCNH2CACNA1GNPC1
SCHEMBL8798100 0.81 CYP1A2 (0.63) CYP1A2MAPK1KCNH2CACNA1GNPC1

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 16 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-1281320-C Complex catalyst process for producing the complex catalyst and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL CO (JP) 2006-10-25 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
CN-1503696-A Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative using the complex catalyst ס�ѻ�ѧ��ҵ��ʽ���� 2004-06-09 CN 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 CYP1A2 513/4885MAPK1 1367/4885KCNH2 71/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CYP1A2 263/4885MAPK1 885/4885KCNH2 159/4885

“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.