SCHEMBL1496672

SCHEMBL1496672

OC1CCCC1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.42
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
SLC18A3 Q16572 7/20 0.39
GRM6 O15303 2/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL9847800 0.96 TSHR (0.50) TSHRNPC1RAB9AHTTF2
SCHEMBL2951485 0.96 TSHR (0.50) TSHRNPC1RAB9AHTTF2
SCHEMBL1496634 0.96 TSHR (0.50) TSHRNPC1RAB9AHTTF2
SCHEMBL9847802 0.96 TSHR (0.50) TSHRNPC1RAB9AHTTF2
SCHEMBL2951484 0.96 TSHR (0.50) TSHRNPC1RAB9AHTTF2
SCHEMBL1496695 0.94 NPC1 (0.49) TSHRNPC1RAB9AHTTF2
SCHEMBL1496728 0.85 MMP2 (0.47) TSHRNPC1RAB9AHTTSMN1; SMN2
SCHEMBL1496529 0.81 MMP2 (0.44) TSHRNPC1RAB9AHTTSMN1; SMN2
SCHEMBL9262067 0.81 NPC1 (0.43) TSHRNPC1RAB9AHTTPRSS1
SCHEMBL9262069 0.81 NPC1 (0.43) TSHRNPC1RAB9AHTTPRSS1

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 14 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-101374792-A Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO (JP) 2009-02-25 CN disclosed
CN-101374791-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
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 TSHR 1213/4885NPC1 2858/4885RAB9A 735/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 1138/4885NPC1 3742/4885RAB9A 404/4885

“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.