SCHEMBL13633900

SCHEMBL13633900

CCO[C@H](COC(=O)CBr)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.61
PPARA Q07869 13/20 0.60
PPARD Q03181 3/20 0.60

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
SCHEMBL13959877 0.92 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4029800 0.87 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL13633933 0.87 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4028161 0.85 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL4029014 0.85 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4027819 0.85 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL13633792 0.84 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4027394 0.84 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4032154 0.84 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4031992 0.83 PPARG (0.63) PPARGPPARAPPARD

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885PPARD 1965/4885

“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.