SCHEMBL4678087

SCHEMBL4678087

CCc1ccc(C)c(C(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B1 P14061 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
METAP2 P50579 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL13302496 0.86 KMT2A (0.48) PKMALDH1A1MAPTGAASMN1; SMN2
SCHEMBL925372 0.84 TRPA1 (0.57) TRPA1ALDH1A1HSD17B1MAPTKMT2A
SCHEMBL9214669 0.84 ALDH1A1 (0.45) TRPA1PKMALDH1A1HSD17B1NPC1
SCHEMBL13652492 0.84 ALDH1A1 (0.50) TRPA1PKMALDH1A1METAP2RAB9A
SCHEMBL21900873 0.83 HSD17B1 (0.46) TRPA1ALDH1A1HSD17B1METAP2NPC1
SCHEMBL16959838 0.83 TRPA1 (0.45) TRPA1PKMALDH1A1CYP4F2CYP4A11
SCHEMBL19396237 0.82 MEN1 (0.43) TRPA1PKMALDH1A1CYP4F2CYP4A11
SCHEMBL28401248 0.82 PKM (0.43) TRPA1PKMALDH1A1CYP4F2CYP4A11
SCHEMBL8160238 0.82 HSD17B1 (0.44) TRPA1ALDH1A1HSD17B1METAP2RAB9A
SCHEMBL15999757 0.81 ALDH1A1 (0.53) PKMALDH1A1CYP4F2CYP4A11METAP2

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
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 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-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG TRPA1 2142/4885PKM 679/4885ALDH1A1 886/4885

“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.