SCHEMBL6851233

SCHEMBL6851233

COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)NC4CCCC4)cc3)c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
DRD4 P21917 3/20 0.51
MAPK14 Q16539 1/20 0.49
PPARG P37231 4/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
F10 P00742 1/20 0.49
EDNRB P24530 2/20 0.49
EDNRA P25101 2/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL6855189 0.97 DRD4 (0.53) MAPTDRD4MAPK14PPARGDRD2
SCHEMBL6857506 0.81 EDNRB (0.52) PPARGEDNRBEDNRA
SCHEMBL6851387 0.79 MAPK8 (0.49) PPARGF10EDNRBEDNRAHDAC1
SCHEMBL6851276 0.78 EDNRB (0.52) MAPTPPARGEDNRBEDNRA
SCHEMBL6858292 0.74 MAPT (0.49) MAPTDRD4DRD2HTR2AF10
SCHEMBL6858382 0.73 PPARG (0.76) MAPTPPARGEDNRBEDNRA
SCHEMBL6858332 0.73 PPARG (0.50) MAPTPPARGF10EDNRBEDNRA
SCHEMBL6858309 0.73 EDNRB (0.50) MAPTEDNRBEDNRAALDH1A1
SCHEMBL7188348 0.73 EDNRB (0.64) MAPTEDNRBEDNRAALDH1A1
SCHEMBL6307109 0.73 EDNRB (0.64) MAPTF10EDNRBEDNRAALDH1A1

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 2 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
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 MAPT 3447/4885DRD4 1709/4885MAPK14 2672/4885

“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.