SCHEMBL6093796

SCHEMBL6093796

COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=C(C=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 11/20 0.57
ERN1 O75460 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AVPR1A P37288 1/20 0.41
ACLY P53396 3/20 0.40
CNR2 P34972 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
SCHEMBL6092481 0.91 TNFRSF1A (0.58) TNFRSF1AERN1HDAC6AVPR1AACLY
SCHEMBL6094833 0.82 TNFRSF1A (0.46) TNFRSF1AERN1HDAC6AVPR1AACLY
SCHEMBL5960621 0.79 TNFRSF1A (0.62) TNFRSF1AERN1
SCHEMBL6091643 0.78 TNFRSF1A (0.59) TNFRSF1AERN1AVPR1A
SCHEMBL6091620 0.76 TNFRSF1A (0.52) TNFRSF1AHDAC6AVPR1AACLYCNR2
SCHEMBL5960639 0.74 ERN1 (0.63) TNFRSF1AERN1AVPR1AACLY
SCHEMBL5960657 0.73 TNFRSF1A (0.83) TNFRSF1A
SCHEMBL5960658 0.73 TNFRSF1A (0.83) TNFRSF1A
SCHEMBL5571802 0.73 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL4727944 0.73 TNFRSF1A (0.81) TNFRSF1A

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 claimed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US 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 2367/4885HDAC6 459/4885

“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.