SCHEMBL6856145

SCHEMBL6856145

CCc1ccc(CC2CC2)c2c1c(-c1ccc(C(C)(C)C)cc1)c(C(=O)O)n2Cc1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.41
MAPK8 P45983 2/20 0.40
SERPINE1 P05121 3/20 0.40
EDNRA P25101 3/20 0.40
FABP4 P15090 1/20 0.39
CCR9 P51686 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CCR2 P41597 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
CACNA1G O43497 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
SCHEMBL6858326 0.89 EDNRB (0.40) EDNRBMAPK8SERPINE1EDNRAFABP4
SCHEMBL6856142 0.82 KDM4E (0.42) EDNRBMAPK8SERPINE1FABP4KDM4E
Hydrochloric Acid SCHEMBL6859387 0.76 SERPINE1 (0.57) EDNRBMAPK8SERPINE1EDNRA
SCHEMBL6856151 0.75 SERPINE1 (0.50) EDNRBSERPINE1EDNRACCR9
SCHEMBL27597871 0.74 SERPINE1 (0.49) EDNRBSERPINE1EDNRACCR9
SCHEMBL6857652 0.73 SERPINE1 (0.57) EDNRBSERPINE1EDNRAMAPTMEN1
SCHEMBL6858324 0.71 KDM4E (0.43) EDNRBMAPK8SERPINE1FABP4KDM4E
SCHEMBL2807519 0.70 SERPINE1 (0.50) EDNRBSERPINE1EDNRA
SCHEMBL7176922 0.70 EDNRB (0.42) EDNRBEDNRACCR2GRIA2GRIA4
SCHEMBL6857506 0.70 EDNRB (0.52) EDNRBMAPK8EDNRAFABP4

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 4 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
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP 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
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD EDNRB 170/4885MAPK8 2081/4885SERPINE1 4051/4885

“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.