SCHEMBL5850560

SCHEMBL5850560

COc1ccc(-c2ccc(-c3nc(C(C)C)c(C(C)Oc4ccc(CCC(=O)O)c(C)c4)o3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.46
PPARG P37231 11/20 0.43
PPARA Q07869 11/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
DGAT1 O75907 1/20 0.41
FFAR1 O14842 1/20 0.40
VDR P11473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5850617 0.99 PPARD (0.46) PPARDPPARGPPARAPOLBLMNA
SCHEMBL5852086 0.94 PPARG (0.49) PPARDPPARGPPARAFFAR1
SCHEMBL5850592 0.92 PPARG (0.44) PPARDPPARGPPARAPOLBFFAR1
SCHEMBL5852293 0.90 VDR (0.52) PPARDPPARGPPARAPOLBFFAR1
SCHEMBL5214899 0.90 PPARG (0.42) PPARDPPARGPPARAFFAR1
SCHEMBL5219680 0.88 PPARG (0.53) PPARDPPARGPPARAFFAR1
SCHEMBL5219143 0.88 PPARD (0.54) PPARDPPARGPPARAFFAR1
SCHEMBL5850985 0.88 PPARA (0.46) PPARDPPARGPPARAFFAR1
SCHEMBL5850650 0.88 FFAR1 (0.46) PPARDPPARGPPARAFFAR1VDR
SCHEMBL5850807 0.88 PPARG (0.46) PPARDPPARGPPARAFFAR1

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-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 PPARD 3/4885PPARG 1/4885PPARA 2/4885

“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.