SCHEMBL6091637

SCHEMBL6091637

CCOC(=O)C(C)(C)Oc1ccc(CC(=O)c2c(OC)cccc2OC)cc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 4/20 0.41
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KEAP1 Q14145 1/20 0.38
KCNK3 O14649 1/20 0.37
SLC6A9 P48067 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
FBP1 P09467 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6090983 0.89 TNFRSF1A (0.47) TNFRSF1AKDM4EHPGDMAPTALDH1A1
SCHEMBL6094560 0.84 TNFRSF1A (0.48) TNFRSF1AKDM4EALDH1A1FBP1MEN1
SCHEMBL6092948 0.84 PPARA (0.46) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6091552 0.83 ALDH1A1 (0.41) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6092104 0.83 PPARA (0.42) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6092109 0.82 ALDH1A1 (0.41) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6092792 0.78 DRD2 (0.35) TNFRSF1AHPGDLMNAHTTNPSR1
SCHEMBL6092795 0.76 FBP1 (0.46) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6040611 0.76 TNFRSF1A (0.52) TNFRSF1AKDM4EHPGDLMNAHTT
SCHEMBL6040642 0.76 TNFRSF1A (0.48) TNFRSF1AKDM4EHPGDLMNAHTT

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 1931/4885HPGD 527/4885

“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.