SCHEMBL6094560

SCHEMBL6094560

CCOC(=O)C(C)(C)Oc1ccc(-c2cccs2)cc1CC(=O)c1c(OC)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 15/20 0.48
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FBP1 P09467 1/20 0.37

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
SCHEMBL6091877 0.88 TNFRSF1A (0.51) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6091514 0.86 TNFRSF1A (0.58) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6091637 0.84 TNFRSF1A (0.41) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6094551 0.83 HDAC1 (0.47) TNFRSF1AHDAC3HDAC1HDAC2KDM4E
SCHEMBL6092765 0.82 HDAC1 (0.46) TNFRSF1AHDAC3HDAC1HDAC2KMT2A
SCHEMBL6091906 0.80 TNFRSF1A (0.51) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092377 0.78 TNFRSF1A (0.51) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6091509 0.77 TNFRSF1A (0.37) TNFRSF1AHDAC3HDAC1HDAC2KDM4E
SCHEMBL6091885 0.77 TNFRSF1A (0.49) TNFRSF1AHDAC3HDAC1HDAC2KDM4E
SCHEMBL6094343 0.76 ERN1 (0.50) TNFRSF1AHDAC3HDAC1HDAC2FBP1

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 4880/4885HDAC3 735/4885HDAC1 1097/4885

“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.