SCHEMBL6093024

SCHEMBL6093024

COc1ccc(-c2cccs2)c(OC)c1C(=O)Cc1cccc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
TNFRSF1A P19438 4/20 0.41
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PPARD Q03181 4/20 0.37
MAPT P10636 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 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
SCHEMBL6093002 0.90 PPARA (0.42) PPARGPPARATNFRSF1AERN1KDM4E
SCHEMBL6092948 0.89 PPARA (0.46) PPARGPPARATNFRSF1AERN1KDM4E
SCHEMBL6091596 0.84 TNFRSF1A (0.49) PPARGPPARATNFRSF1APPARDCYP4F2
SCHEMBL6090983 0.83 TNFRSF1A (0.47) PPARGTNFRSF1AERN1KDM4EMAPT
SCHEMBL6091213 0.81 TNFRSF1A (0.42) TNFRSF1ABCL9CTNNB1ERN1KDM4E
SCHEMBL6109657 0.80 TNFRSF1A (0.50) TNFRSF1AKDM4EMAPT
SCHEMBL6092104 0.79 PPARA (0.42) PPARGPPARATNFRSF1AERN1KDM4E
SCHEMBL6092987 0.79 ERN1 (0.46) TNFRSF1AERN1KDM4EMAPTTUBB4A
SCHEMBL6094282 0.77 TNFRSF1A (0.44) TNFRSF1AERN1KDM4EMAPTTUBB4A
SCHEMBL6093492 0.76 ERN1 (0.43) PPARATNFRSF1AERN1KDM4EMAPT

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 PPARG 535/4885PPARA 457/4885TNFRSF1A 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.