SCHEMBL5656267

SCHEMBL5656267

CCC(O)c1ccc2c(c1)C(C)(C)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
NOTUM Q6P988 2/20 0.42
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
RARA P10276 2/20 0.40
AOC3 Q16853 1/20 0.38
RXRA P19793 2/20 0.38
LMNA P02545 1/20 0.37
ACACB O00763 1/20 0.36
CYP26A1 O43174 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL5659590 0.83 NOTUM (0.44) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL31085141 0.83 NOTUM (0.44) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL5656270 0.81 NOTUM (0.43) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL12604316 0.79 NOTUM (0.47) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL11809097 0.79 RARB (0.40) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL24673929 0.76 NOTUM (0.44) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL9097434 0.74 CYP26A1 (0.56) RARBRARGRARARXRALMNA
SCHEMBL987763 0.74 RARB (0.41) PTGS1PTGS2NOTUMRARBRARG
SCHEMBL9817702 0.72 RARB (0.39) RARBRARGRARAAOC3RXRA
SCHEMBL11864310 0.72 AOC3 (0.67) PTGS1PTGS2AOC3LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 PTGS1 617/4885PTGS2 557/4885NOTUM 1917/4885

“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.