SCHEMBL6093002

SCHEMBL6093002

COc1ccc(-c2cccs2)c(OC)c1C(=O)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 8/20 0.42
TNFRSF1A P19438 3/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 1/20 0.39
PPARD Q03181 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6093024 0.90 PPARG (0.42) PPARAPPARGTNFRSF1AERN1PPARD
SCHEMBL6092104 0.89 PPARA (0.42) PPARAPPARGTNFRSF1ATSHRMAPK1
SCHEMBL6094282 0.83 TNFRSF1A (0.44) TNFRSF1ATSHRMAPK1SMN1; SMN2ERN1
SCHEMBL6093492 0.83 ERN1 (0.43) PPARATNFRSF1ATSHRMAPK1SMN1; SMN2
SCHEMBL6091494 0.82 TNFRSF1A (0.44) PPARAPPARGTNFRSF1AERN1KDM4E
SCHEMBL6090983 0.81 TNFRSF1A (0.47) PPARGTNFRSF1ASMN1; SMN2ERN1KDM4E
SCHEMBL6109489 0.81 TNFRSF1A (0.50) PPARAPPARGTNFRSF1AMAPK1KDM4E
SCHEMBL6094177 0.81 MAPT (0.48) TSHRMAPK1SMN1; SMN2ERN1KDM4E
SCHEMBL6092948 0.79 PPARA (0.46) PPARAPPARGTNFRSF1ATSHRSMN1; SMN2
SCHEMBL6092987 0.79 ERN1 (0.46) TNFRSF1AERN1KDM4EMAPT

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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 PPARA 457/4885PPARG 535/4885TNFRSF1A 4880/4885

“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.