SCHEMBL6858334

SCHEMBL6858334

COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.62
EDNRA P25101 9/20 0.62
PLA2G2A P14555 4/20 0.52
FFAR1 O14842 2/20 0.44
PPARD Q03181 1/20 0.44
SERPINE1 P05121 1/20 0.43

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
SCHEMBL6856131 0.93 EDNRB (0.54) EDNRBEDNRAPLA2G2A
SCHEMBL6851204 0.91 PLA2G2A (0.53) EDNRBEDNRAPLA2G2AFFAR1
SCHEMBL6857506 0.91 EDNRB (0.52) EDNRBEDNRA
SCHEMBL6855171 0.85 KMT2A (0.49) EDNRBEDNRAPLA2G2A
SCHEMBL6856189 0.83 KMT2A (0.49) EDNRBEDNRAPLA2G2AFFAR1PPARD
SCHEMBL6858367 0.82 KMT2A (0.47) EDNRBEDNRAPLA2G2A
SCHEMBL6855746 0.81 KMT2A (0.46) EDNRBEDNRAPLA2G2A
SCHEMBL7176922 0.81 EDNRB (0.42) EDNRBEDNRA
SCHEMBL8545345 0.80 EDNRB (0.69) EDNRBEDNRAPLA2G2ASERPINE1
SCHEMBL6851245 0.79 KMT2A (0.44) EDNRBEDNRAPLA2G2A

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 98/4885PLA2G2A 533/4885

“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.