SCHEMBL6093517

SCHEMBL6093517

C=C(C(=O)c1cccc(C(=O)O)c1)c1cc(-c2cccs2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 15/20 0.53
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL6040654 0.91 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6040845 0.85 TNFRSF1A (0.43) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6093064 0.84 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6091965 0.84 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092830 0.84 TNFRSF1A (0.57) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6094132 0.83 TNFRSF1A (0.51) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092896 0.83 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092892 0.83 TNFRSF1A (0.53) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092061 0.83 TNFRSF1A (0.51) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6094034 0.83 TNFRSF1A (0.50) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A

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 4 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 claimed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO claimed
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 1931/4885MEN1 514/4885

“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.