SCHEMBL5219009

SCHEMBL5219009

COC(=O)CCc1ccc(OC(C)c2oc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2C(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.34
PPARD Q03181 3/20 0.34
VDR P11473 1/20 0.34
PPARG P37231 8/20 0.33
PPARA Q07869 7/20 0.33
SNCA P37840 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
LPL P06858 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
IDH1 O75874 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5217285 0.90 PPARD (0.34) LIPGPPARDVDRPPARGPPARA
SCHEMBL5851098 0.87 PPARD (0.38) PPARDVDRPPARGPPARACCNC
SCHEMBL6616289 0.86 PPARG (0.39) PPARDVDRPPARGPPARA
SCHEMBL5216633 0.86 LMNA (0.39) PPARDVDRPPARGPPARACCNC
SCHEMBL5850827 0.84 PPARA (0.39) PPARDVDRPPARGPPARAIDH1
SCHEMBL4673659 0.80 PPARG (0.53) PPARDPPARGPPARA
SCHEMBL5850617 0.80 PPARD (0.46) PPARDVDRPPARGPPARAPOLB
SCHEMBL5850560 0.79 PPARD (0.46) PPARDVDRPPARGPPARAPOLB
SCHEMBL5852086 0.78 PPARG (0.49) PPARDPPARGPPARA
SCHEMBL5850592 0.78 PPARG (0.44) PPARDPPARGPPARAPOLB

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-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US claimed
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

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 LIPG 1212/4885PPARD 3/4885VDR 76/4885

“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.