SCHEMBL5355635

SCHEMBL5355635

COc1cccc(C(=O)NCc2[c]c(OCCc3nc(-c4ccccc4)oc3C)ccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 7/20 0.48
PPARA Q07869 5/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 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
SCHEMBL5352380 0.83 PPARG (0.48) PPARGPPARA
SCHEMBL5730171 0.81 PPARG (0.62) PPARGPPARA
SCHEMBL5351857 0.81 TP53 (0.59) MAPTPPARGPPARATP53
SCHEMBL5729735 0.80 PPARG (0.49) PPARGPPARA
SCHEMBL4887503 0.80 PPARG (0.72) PPARGPPARA
SCHEMBL5363280 0.80 PPARG (0.49) PPARGPPARA
SCHEMBL5350843 0.80 PPARG (0.51) PPARGPPARA
SCHEMBL4894205 0.80 PPARG (0.49) PPARGPPARA
SCHEMBL5730014 0.79 PPARG (0.53) PPARGPPARA
SCHEMBL5729685 0.78 NQO2 (0.47) ALDH1A1HPGD

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-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US claimed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US claimed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD MAPT 2702/4885TSHR 1255/4885KDM4E 4175/4885

“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.