SCHEMBL6091870

SCHEMBL6091870

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
CHEK1 O14757 1/20 0.46
CHEK2 O96017 1/20 0.46
NEK2 P51955 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL6091875 0.91 TNFRSF1A (0.53) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091940 0.90 TNFRSF1A (0.52) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6092780 0.90 TNFRSF1A (0.50) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6092548 0.89 KDM4E (0.50) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091629 0.89 TNFRSF1A (0.49) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091397 0.88 KDM4E (0.49) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091933 0.88 ALDH1A1 (0.49) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091841 0.85 ABCB1 (0.48) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091721 0.83 TNFRSF1A (0.54) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6094350 0.83 TNFRSF1A (0.45) TNFRSF1AALDH1A1KDM4EMEN1KMT2A

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 TNFRSF1A 4880/4885ALDH1A1 159/4885KDM4E 1931/4885

“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.