SCHEMBL6851282

SCHEMBL6851282

CCOC(=O)c1c(CC2CC2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
MAPK10 P53779 1/20 0.47
PPARG P37231 6/20 0.46
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.42
F10 P00742 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL6856138 0.82 MAPT (0.51) MAPTMAPK10PPARGMEN1KMT2A
SCHEMBL2809209 0.82 EDNRB (0.40) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL6851392 0.81 MEN1 (0.63) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL6857667 0.80 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL2809099 0.80 PPARG (0.42) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL7110249 0.79 PPARG (0.53) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL6858315 0.78 GRM5 (0.49) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL7110258 0.78 PPARG (0.45) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG
SCHEMBL2806952 0.78 PPARG (0.48) MAPTMAPK10PPARGMEN1KMT2A
SCHEMBL6858320 0.78 PPARG (0.49) ALDH1A1SMN1; SMN2MAPTMAPK10PPARG

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 ALDH1A1 2691/4885SMN1; SMN2 4846/4885MAPT 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.