SCHEMBL6489922

SCHEMBL6489922

Cc1cc(SCc2ccc(OCc3ccccc3)cc2)c(C)cc1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.48
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.46
CYP2C19 P33261 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 1/20 0.43
AR P10275 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 2/20 0.43
GSTP1 P09211 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL27602691 0.85 CYP2C19 (0.49) PPARDPPARGPPARACYP2C19CYP2E1
SCHEMBL6485449 0.82 PPARD (0.54) PPARDPPARGPPARACYP2C19CYP2E1
SCHEMBL6199915 0.81 POLB (0.41) CYP2C19CYP2C9NPC1HPGDRAB9A
SCHEMBL6485340 0.79 PPARD (0.51) PPARDPPARGPPARACYP2C19CYP2E1
SCHEMBL5638719 0.78 CYP1A2 (0.43) CYP2C19CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL27602700 0.74 CYP2C19 (0.51) PPARDPPARGPPARACYP2C19CYP2E1
SCHEMBL5638277 0.73 CYP1A2 (0.36) CYP2C19CYP3A4CYP2D6CYP2C9KDM4E
SCHEMBL27602825 0.72 PPARD (0.54) PPARDPPARGPPARACYP2C19CYP2E1
SCHEMBL5639337 0.71 PPARD (0.45) PPARDPPARGPPARAMAOBBCHE
SCHEMBL6199071 0.71 PPARD (0.51) PPARDPPARANPC1RAB9AMAOB

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 4/4885PPARG 3/4885PPARA 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.