SCHEMBL5218950

SCHEMBL5218950

COC(=O)CCc1ccc(OCC(C)c2oc(-c3ccc(Br)cc3)nc2C(C)C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.37
VDR P11473 1/20 0.37
PPARG P37231 10/20 0.36
PPARA Q07869 10/20 0.36
SMPD1 P17405 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TARBP2 Q15633 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL5215868 0.90 PPARG (0.41) PPARDVDRPPARGPPARASMPD1
SCHEMBL5852523 0.90 PPARG (0.41) PPARDVDRPPARGPPARASMPD1
SCHEMBL5850733 0.89 PPARA (0.41) PPARDPPARGPPARA
SCHEMBL5216633 0.89 LMNA (0.39) PPARDVDRPPARGPPARAMAPT
SCHEMBL6613517 0.87 VDR (0.40) PPARDVDRPPARGPPARAMAPT
SCHEMBL5217285 0.86 PPARD (0.34) PPARDVDRPPARGPPARAMAPT
SCHEMBL6614046 0.85 PPARG (0.42) PPARDVDRPPARGPPARA
SCHEMBL5220592 0.82 PPARD (0.45) PPARDPPARGPPARAMAPT
SCHEMBL5850788 0.82 PPARG (0.51) PPARDPPARGPPARAFFAR1
SCHEMBL5851098 0.81 PPARD (0.38) PPARDVDRPPARGPPARACCNC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885VDR 76/4885PPARG 1/4885

“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.