SCHEMBL6858271

SCHEMBL6858271

CCOC(=O)c1c(-c2ccc(OCC)cc2)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.55
EDNRA P25101 2/20 0.55
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PLA2G2A P14555 1/20 0.47

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
SCHEMBL6855135 0.88 MAPT (0.63) MAPTKDM4EPKMLMNAGAA
SCHEMBL6851293 0.86 KDM4E (0.53) EDNRBEDNRAMAPTKDM4EPKM
SCHEMBL6859404 0.86 MAPT (0.54) EDNRBEDNRAMAPTKDM4EPKM
SCHEMBL6858380 0.85 MAPT (0.53) EDNRBEDNRAMAPTKDM4EPKM
SCHEMBL8545345 0.81 EDNRB (0.69) EDNRBEDNRAPLA2G2A
SCHEMBL6851204 0.80 PLA2G2A (0.53) EDNRBEDNRAKMT2APLA2G2A
SCHEMBL6851257 0.80 PLA2G2A (0.53) EDNRBEDNRAMAPTKMT2APLA2G2A
SCHEMBL4155886 0.79 ESR1 (0.51) EDNRBEDNRAMAPTKDM4EPKM
SCHEMBL6859398 0.79 MAPT (0.53) MAPTKDM4EPKMLMNA
SCHEMBL8543272 0.78 EDNRB (0.60) EDNRBEDNRAKMT2A

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 170/4885EDNRA 98/4885MAPT 3447/4885

“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.