SCHEMBL4187263

SCHEMBL4187263

COC(=O)COc1ccc(OCCC#N)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.53
PPARG P37231 4/20 0.53
PPARA Q07869 2/20 0.53
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 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
SCHEMBL4181337 0.87 PPARD (0.49) PPARDPPARGPPARAHSD17B10NPC1
SCHEMBL4186855 0.83 PPARD (0.55) PPARDPPARGPPARAHSD17B10GAA
SCHEMBL2778087 0.81 GAA (0.44) PPARDPPARGPPARAHSD17B10GAA
SCHEMBL2327275 0.80 MRGPRX4 (0.53) HSD17B10NPC1TP53RAB9AKDM4E
SCHEMBL1777832 0.79 PPARD (0.49) PPARDPPARGPPARAHSD17B10GAA
SCHEMBL13484525 0.79 PPARD (0.54) PPARDPPARGPPARAHSD17B10ALDH1A1
SCHEMBL4184065 0.79 PPARD (0.52) PPARDPPARGPPARAHSD17B10ALDH1A1
SCHEMBL4605009 0.79 PPARD (0.52) PPARDPPARGPPARAHSD17B10ALDH1A1
SCHEMBL24474657 0.78 PPARD (0.53) PPARDPPARGPPARAHSD17B10GAA
SCHEMBL4182865 0.78 PPARD (0.53) PPARDPPARGPPARAHSD17B10TP53

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
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR 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.