SCHEMBL6855787

SCHEMBL6855787

CCOC(=O)c1c(-c2cccc(OCC3CC3)c2)c2cc(O)ccc2n1Cc1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 2/20 0.44
GAA P10253 1/20 0.44
PLA2G2A P14555 4/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
MAPK8 P45983 1/20 0.42
MEN1 O00255 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6858367 0.94 KMT2A (0.47) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL6858282 0.91 PLA2G2A (0.49) KMT2APLA2G2AEDNRBEDNRA
SCHEMBL7123488 0.90 KMT2A (0.46) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL27598029 0.90 KMT2A (0.47) KMT2AMAPTKDM4EPLA2G2AALDH1A1
SCHEMBL6855570 0.90 KMT2A (0.44) KMT2AMAPTKDM4EPLA2G2AALDH1A1
SCHEMBL6857558 0.89 KMT2A (0.47) KMT2AMAPTKDM4EPLA2G2AALDH1A1
SCHEMBL6851227 0.89 PLA2G2A (0.47) KMT2APLA2G2AEDNRBEDNRA
SCHEMBL6855171 0.89 KMT2A (0.49) KMT2AMAPTKDM4EPLA2G2AALDH1A1
SCHEMBL6851235 0.88 KMT2A (0.43) KMT2AMAPTKDM4EPLA2G2AALDH1A1
SCHEMBL6851390 0.88 KMT2A (0.52) KMT2AMAPTKDM4ELMNAPKM

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 KMT2A 2753/4885MAPT 3447/4885KDM4E 1858/4885

“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.