SCHEMBL6091879

SCHEMBL6091879

CC(C)Oc1ccc(-c2cccs2)cc1CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
TNFRSF1A P19438 6/20 0.44
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
PPARG P37231 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6092689 0.89 MAPT (0.45) TNFRSF1AKMT2AHDAC1HDAC2HDAC3
SCHEMBL6091940 0.88 TNFRSF1A (0.52) TNFRSF1AKMT2AHDAC1HDAC2KDM4E
SCHEMBL6091721 0.79 TNFRSF1A (0.54) TNFRSF1AKMT2APPARGKDM4EMEN1
SCHEMBL6092780 0.79 TNFRSF1A (0.50) TNFRSF1AKMT2AHDAC1HDAC2KDM4E
SCHEMBL6091629 0.78 TNFRSF1A (0.49) TNFRSF1AKMT2AHDAC1HDAC2KDM4E
SCHEMBL6091875 0.78 TNFRSF1A (0.53) TNFRSF1AKMT2AHDAC1HDAC2HDAC3
SCHEMBL6092548 0.78 KDM4E (0.50) TNFRSF1AKMT2AHDAC1HDAC2HDAC3
SCHEMBL6091870 0.78 TNFRSF1A (0.52) TNFRSF1AKMT2AHDAC1HDAC2HDAC3
SCHEMBL6091738 0.77 RXRA (0.44) RXRARXRBTNFRSF1AKMT2APTPN1
SCHEMBL6092848 0.77 HDAC1 (0.49) TNFRSF1AKMT2AHDAC1HDAC2HDAC3

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 RXRA 2581/4885RXRB 2414/4885TNFRSF1A 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.