SCHEMBL1496695

SCHEMBL1496695

OC1CCCCCCC1Sc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.38
GRM6 O15303 2/20 0.38
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
SLC18A3 Q16572 5/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL1496634 0.98 TSHR (0.50) NPC1RAB9ATSHRHTTGRM6
SCHEMBL9847800 0.98 TSHR (0.50) NPC1RAB9ATSHRHTTGRM6
SCHEMBL9847802 0.98 TSHR (0.50) NPC1RAB9ATSHRHTTGRM6
SCHEMBL2951485 0.98 TSHR (0.50) NPC1RAB9ATSHRHTTGRM6
SCHEMBL2951484 0.98 TSHR (0.50) NPC1RAB9ATSHRHTTGRM6
SCHEMBL1496672 0.94 TSHR (0.46) NPC1RAB9ATSHRHTTGRM6
SCHEMBL1496767 0.85 MMP2 (0.43) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL1496529 0.83 MMP2 (0.44) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL9262067 0.83 NPC1 (0.43) NPC1RAB9ATSHRHTTSLC18A3
SCHEMBL9264881 0.83 NPC1 (0.43) NPC1RAB9ATSHRHTTSLC18A3

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 10 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
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 NPC1 2858/4885RAB9A 735/4885TSHR 1213/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 NPC1 3742/4885RAB9A 404/4885TSHR 1138/4885

“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.