SCHEMBL5994374

SCHEMBL5994374

COc1cc(OC(C)C(=O)O)ccc1SCc1ccccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.53
PPARA Q07869 11/20 0.51
PPARG P37231 7/20 0.51
ABCB1 P08183 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PSEN1 P49768 2/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 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
SCHEMBL30977146 0.89 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL3811706 0.78 PPARD (0.77) PPARDPPARAPPARG
SCHEMBL6493346 0.76 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5728665 0.76 PPARD (0.55) PPARDPPARAPPARGABCB1
SCHEMBL5728669 0.76 PPARD (0.55) PPARDPPARAPPARGABCB1
SCHEMBL5512756 0.75 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL21991483 0.75 MAOB (0.63) PPARAPPARG
SCHEMBL6197334 0.74 PPARD (0.50) PPARDPPARAPPARGPSEN1
SCHEMBL5513262 0.71 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL5513388 0.70 PPARD (0.83) PPARDPPARAPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX PPARD 1067/4885PPARA 1347/4885PPARG 1260/4885

“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.