SCHEMBL6705904

SCHEMBL6705904

COC(=O)c1ccc(CC#N)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.43
OR51E2 Q9H255 1/20 0.43
MAPK10 P53779 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL9786033 0.89 HPGD (0.51) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL6226460 0.88 PPARG (0.57) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL7563166 0.87 KDM4E (0.53) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL197734 0.84 ALDH1A1 (0.46) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL5503225 0.83 PPARG (0.51) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL6707807 0.83 ALDH1A1 (0.45) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL4241664 0.82 CA12 (0.51) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL13163936 0.81 ALDH1A1 (0.71) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL11446718 0.81 ALDH1A1 (0.50) NPC1RAB9ATHRBKDM4EGAA
SCHEMBL1612288 0.81 LOXL2 (0.54) NPC1RAB9AKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 US 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 (1 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R NPC1 2495/4885RAB9A 2725/4885THRB 209/4885

“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.