SCHEMBL6091397

SCHEMBL6091397

COc1ccc(-c2cccs2)cc1CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TNFRSF1A P19438 15/20 0.48
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6091933 0.91 ALDH1A1 (0.49) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091629 0.90 TNFRSF1A (0.49) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091940 0.89 TNFRSF1A (0.52) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6092780 0.89 TNFRSF1A (0.50) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091870 0.88 TNFRSF1A (0.52) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6092548 0.88 KDM4E (0.50) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091875 0.88 TNFRSF1A (0.53) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6093137 0.84 KDM4E (0.50) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091841 0.84 ABCB1 (0.48) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6091721 0.82 TNFRSF1A (0.54) KDM4EMEN1ALDH1A1KMT2AL3MBTL1

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 KDM4E 1931/4885MEN1 514/4885ALDH1A1 159/4885

“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.