SCHEMBL6858262

SCHEMBL6858262

CCOc1ccc(-c2c(C(=O)O)n(Cc3ccc(F)cc3)c3ccc(CCOCC4CC4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.47
EDNRA P25101 7/20 0.47
SSTR5 P35346 3/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.44
PTGIR P43119 1/20 0.42
TP53 P04637 3/20 0.41
SERPINE1 P05121 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
SCHEMBL6858358 0.92 SSTR5 (0.48) EDNRBEDNRASSTR5KCNH2MAPT
Hydrochloric Acid SCHEMBL6857505 0.82 SSTR5 (0.51) EDNRBEDNRASSTR5KCNH2MAPT
SCHEMBL6856151 0.77 SERPINE1 (0.50) EDNRBEDNRASERPINE1
SCHEMBL6858380 0.77 MAPT (0.53) EDNRBEDNRASSTR5MAPTTP53
SCHEMBL27597871 0.77 SERPINE1 (0.49) EDNRBEDNRASERPINE1
SCHEMBL6856131 0.76 EDNRB (0.54) EDNRBEDNRASSTR5KCNH2TP53
SCHEMBL6859398 0.75 MAPT (0.53) SSTR5KCNH2MAPTTP53SERPINE1
SCHEMBL6859404 0.75 MAPT (0.54) EDNRBEDNRASSTR5MAPTTP53
SCHEMBL6851377 0.74 EDNRB (0.49) EDNRBEDNRASERPINE1
SCHEMBL6855135 0.73 MAPT (0.63) MAPT

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 3 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
CN-1505613-A Substituted indoles, pharmaceutical compositions containing such indoles and their use as ppar-gamma binding agents ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-16 CN 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 EDNRB 170/4885EDNRA 98/4885SSTR5 1757/4885

“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.