SCHEMBL6485340

SCHEMBL6485340

Cc1cc(SCc2ccc(OCc3ccccc3)cc2)cc(C)c1[O]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.51
PPARA Q07869 1/20 0.51
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
PPARG P37231 1/20 0.45
MAOB P27338 2/20 0.44
GSTP1 P09211 1/20 0.44
BCHE P06276 1/20 0.44
CYP1A2 P05177 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL6485449 0.87 PPARD (0.54) PPARDPPARACYP2C19CYP3A4CYP2E1
SCHEMBL27602700 0.86 CYP2C19 (0.51) PPARDPPARACYP2C19CYP3A4CYP2E1
SCHEMBL5514295 0.83 PPARD (0.61) PPARDPPARACYP2C19CYP3A4PPARG
SCHEMBL27602825 0.82 PPARD (0.54) PPARDPPARACYP2C19CYP3A4CYP2E1
SCHEMBL6478081 0.80 DAO (0.41) CYP2C19CYP3A4MAOBCYP1A2PTGS1
SCHEMBL5511791 0.79 PPARD (0.79) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL339178 0.79 LMNA (0.58) PPARACYP2C19PPARGMAOBGSTP1
SCHEMBL6489922 0.79 PPARD (0.48) PPARDPPARACYP2C19CYP3A4CYP2E1
SCHEMBL31518318 0.78 APP (0.55) PPARACYP2C19PPARGMAOBBCHE
SCHEMBL5508806 0.77 PPARD (0.66) PPARDPPARACYP2C19CYP3A4PPARG

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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885CYP2C19 3086/4885

“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.