SCHEMBL6859339

SCHEMBL6859339

CCc1cccc2c1c(-c1ccc(OC)cc1)c(C(=O)O)n2Cc1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YWHAH Q04917 1/20 0.47
EDNRB P24530 8/20 0.47
EDNRA P25101 6/20 0.47
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 3/20 0.43
PTGES O14684 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL6859336 0.76 PPARG (0.54) EDNRBEDNRACD74MIFTP53
SCHEMBL8553492 0.75 EDNRB (0.64) EDNRBEDNRATP53PPARGPTGES
SCHEMBL4591747 0.73 EDNRB (0.61) EDNRBEDNRATP53
SCHEMBL8551194 0.73 EDNRB (0.64) EDNRBEDNRATP53POLBPTGES
SCHEMBL8549014 0.73 EDNRB (0.61) EDNRBEDNRAPPARG
SCHEMBL7176922 0.72 EDNRB (0.42) EDNRBEDNRATP53POLB
SCHEMBL6858382 0.72 PPARG (0.76) EDNRBEDNRAPOLBPPARGPTGES
SCHEMBL8553006 0.70 EDNRB (0.62) EDNRBEDNRAPLA2G2A
SCHEMBL6091159 0.69 PPARG (0.65) EDNRBEDNRAPPARGPTGES
SCHEMBL8902335 0.69 EDNRB (0.80) EDNRBEDNRA

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-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD YWHAH 1248/4885EDNRB 170/4885EDNRA 98/4885

“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.