SCHEMBL6855786

SCHEMBL6855786

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cc(NCC3CC3)ccc2n1Cc1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.47
KMT2A Q03164 1/20 0.42
PLA2G2A P14555 2/20 0.41
MAPK8 P45983 1/20 0.41
PPARG P37231 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6851283 0.92 KMT2A (0.45) SERPINE1KMT2APLA2G2AMAPK8PPARG
Hydrochloric Acid SCHEMBL6859387 0.90 SERPINE1 (0.57) SERPINE1MAPK8PPARGEDNRBEDNRA
SCHEMBL6858370 0.84 KMT2A (0.44) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6858375 0.84 KMT2A (0.47) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6851232 0.84 KMT2A (0.47) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6859423 0.82 KMT2A (0.46) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6858323 0.82 KMT2A (0.46) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6851399 0.82 SERPINE1 (0.49) SERPINE1PLA2G2AMAPK8PPARGMAPT
SCHEMBL6859438 0.82 KMT2A (0.42) SERPINE1KMT2APLA2G2AMAPK8PPARG
SCHEMBL6855506 0.82 KMT2A (0.46) SERPINE1KMT2APLA2G2AMAPK8PPARG

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 SERPINE1 4051/4885KMT2A 2753/4885PLA2G2A 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.