SCHEMBL4182987

SCHEMBL4182987

COC(=O)COc1cc(C2CC2)c(OCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.57
PPARA Q07869 2/20 0.57
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX5 P09917 2/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
IGF1R P08069 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL4178415 0.92 PPARD (0.68) PPARDPPARANPC1RAB9AMEN1
SCHEMBL4181021 0.89 PPARD (0.58) PPARDPPARAALDH1A1HDAC3HDAC4
SCHEMBL4185340 0.82 PPARD (0.70) PPARDPPARAALDH1A1PTGDR2
SCHEMBL4187047 0.80 PPARD (0.50) PPARDPPARAALDH1A1PTGDRPTGDR2
SCHEMBL3204737 0.78 PPARD (0.57) PPARDPPARA
SCHEMBL4196468 0.76 PPARD (0.51) PPARDPPARANPC1RAB9AMEN1
SCHEMBL4194591 0.76 PPARD (0.72) PPARDPPARARAB9AMAPT
SCHEMBL4191959 0.75 PPARD (0.62) PPARDPPARAALDH1A1ALOX5HDAC3
SCHEMBL4620672 0.74 PPARD (0.44) PPARDPPARAPTGDRPTGDR2
SCHEMBL13774947 0.74 PPARD (0.49) PPARDPPARAMAPK1NPC1RAB9A

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-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 3/4885PPARA 2/4885MAPK1 1862/4885

“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.