SCHEMBL6091877

SCHEMBL6091877

COc1cccc(OC)c1C(=O)Cc1cc(-c2cccs2)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 16/20 0.51
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
P2RX3 P56373 1/20 0.38

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
SCHEMBL6091514 0.89 TNFRSF1A (0.58) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6094560 0.88 TNFRSF1A (0.48) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6090983 0.83 TNFRSF1A (0.47) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6092377 0.81 TNFRSF1A (0.51) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6091906 0.81 TNFRSF1A (0.51) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6091924 0.79 TNFRSF1A (0.50) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6111525 0.78 TNFRSF1A (0.81) TNFRSF1A
SCHEMBL6091721 0.77 TNFRSF1A (0.54) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6091940 0.76 TNFRSF1A (0.52) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6091629 0.75 TNFRSF1A (0.49) TNFRSF1AKDM4EALDH1A1MEN1KMT2A

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 4880/4885KDM4E 1931/4885ALDH1A1 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.