SCHEMBL1496633

SCHEMBL1496633

COc1ccc(SC2CCCC2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SLC18A3 Q16572 1/20 0.42
PTGIR P43119 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9264571 0.97 HTT (0.47) HTTDDB1CRBNSLC18A3PTGIR
SCHEMBL1496694 0.97 HTT (0.47) HTTDDB1CRBNSLC18A3PTGIR
SCHEMBL9264575 0.97 HTT (0.47) HTTDDB1CRBNSLC18A3PTGIR
SCHEMBL1496756 0.95 HTT (0.46) HTTDDB1CRBNSLC18A3PTGIR
SCHEMBL1496728 0.81 MMP2 (0.47) HTTRAB9ALMNAMAPTNPC1
SCHEMBL9267012 0.78 DDB1 (0.47) HTTDDB1CRBNRAB9ALMNA
SCHEMBL9267002 0.78 DDB1 (0.47) HTTDDB1CRBNRAB9ALMNA
SCHEMBL7311882 0.78 SMN1; SMN2 (0.44) DDB1CRBNCA1CA2RAB9A
SCHEMBL7311871 0.78 SMN1; SMN2 (0.44) DDB1CRBNCA1CA2RAB9A
SCHEMBL9267006 0.78 DDB1 (0.47) HTTDDB1CRBNRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTT 4072/4885DDB1 3916/4885CRBN 2474/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 HTT 4814/4885DDB1 3867/4885CRBN 4198/4885

“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.