SCHEMBL6091522

SCHEMBL6091522

COc1ccc(-c2cccs2)cc1C(C=O)=Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 14/20 0.47
ERN1 O75460 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACLY P53396 1/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 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
SCHEMBL6094028 0.92 TNFRSF1A (0.49) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6093062 0.89 TNFRSF1A (0.48) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6094130 0.88 TNFRSF1A (0.52) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6093536 0.85 TNFRSF1A (0.45) TNFRSF1AERN1MEN1ALDH1A1KMT2A
SCHEMBL6092258 0.83 TNFRSF1A (0.44) TNFRSF1AERN1MEN1ALDH1A1KMT2A
SCHEMBL6092824 0.82 TNFRSF1A (0.51) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6093627 0.81 TNFRSF1A (0.45) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6095256 0.81 TNFRSF1A (0.47) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6093347 0.80 TNFRSF1A (0.46) TNFRSF1AERN1KDM4EMEN1ALDH1A1
SCHEMBL6092239 0.78 TNFRSF1A (0.42) TNFRSF1AERN1KDM4EMEN1ALDH1A1

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 3 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
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 4880/4885ERN1 2367/4885KDM4E 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.