SCHEMBL6797758

SCHEMBL6797758

CCO/C(=C/c1ccc(OCC2CN(Cc3ccccc3)c3ccccc3O2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
PTGIR P43119 11/20 0.43
NR1H4 Q96RI1 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6797764 1.00 SIRT1 (0.44) SIRT1SIRT2PTGIRNR1H4MAPK1
SCHEMBL6797753 1.00 SIRT1 (0.44) SIRT1SIRT2PTGIRNR1H4MAPK1
SCHEMBL14265716 0.94 NR1H4 (0.45) SIRT1SIRT2PTGIRNR1H4MAPK1
SCHEMBL6317477 0.92 SIRT1 (0.44) SIRT1SIRT2PTGIRNR1H4
SCHEMBL6317472 0.92 SIRT1 (0.44) SIRT1SIRT2PTGIRNR1H4
SCHEMBL14286251 0.89 SIRT1 (0.43) SIRT1SIRT2PTGIRNR1H4MAPK1
SCHEMBL6802991 0.87 PTGIR (0.52) PTGIR
SCHEMBL6802985 0.87 PTGIR (0.52) PTGIR
SCHEMBL6802981 0.87 PTGIR (0.52) PTGIR
SCHEMBL27576361 0.83 SIRT1 (0.49) SIRT1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809095-B2 NOVEL ANTITOBESITY AND HYPOCHOLESTEROLEMIC COMPOUNDS LOWER TOTAL CHOLESTEROL; INCREASE HIGH DENSITY LIPOPROTEIN (HDL) AND DECREASE LOW DENSTIY LIPOPROTEIN DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-26 US claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO 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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 SIRT1 1347/4885SIRT2 3010/4885PTGIR 665/4885

“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.