SCHEMBL6856142

SCHEMBL6856142

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cccc(CC3CC3)c2n1Cc1cccc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK8 P45983 2/20 0.41
EDNRB P24530 1/20 0.40
F10 P00742 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARG P37231 4/20 0.38
TP53 P04637 2/20 0.37
FABP4 P15090 1/20 0.37
PLA2G2A P14555 1/20 0.37
SERPINE1 P05121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL6858324 0.87 KDM4E (0.43) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6856145 0.82 EDNRB (0.41) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6855786 0.81 SERPINE1 (0.47) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6858370 0.80 KMT2A (0.44) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6859438 0.79 KMT2A (0.42) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6858375 0.79 KMT2A (0.47) MAPK8EDNRBKMT2APPARGPLA2G2A
SCHEMBL6851232 0.79 KMT2A (0.47) MAPK8EDNRBKMT2APPARGPLA2G2A
SCHEMBL6851283 0.79 KMT2A (0.45) KDM4EALDH1A1MAPTMAPK8KMT2A
SCHEMBL6856133 0.78 EDNRB (0.47) KDM4EALDH1A1MAPTMAPK8EDNRB
SCHEMBL6858311 0.77 MAPT (0.45) KDM4EALDH1A1MAPTMAPK8EDNRB

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 KDM4E 1858/4885ALDH1A1 2691/4885MAPT 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.