SCHEMBL6091203

SCHEMBL6091203

CC(C)Oc1ccc(-c2cccs2)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.57
TNFRSF1A P19438 9/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GHSR Q92847 1/20 0.40

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
SCHEMBL5960661 0.84 ERN1 (0.68) ERN1TNFRSF1A
SCHEMBL8468558 0.77 ERN1 (0.60) ERN1TNFRSF1A
SCHEMBL2167663 0.75 XDH (0.49)
Hydrogen Sulfide SCHEMBL27894599 0.74 XDH (0.48)
SCHEMBL6930848 0.74 ALDH1A3 (0.53) ERN1KMT2A
SCHEMBL8322837 0.74 ALDH1A1 (0.56) ERN1KMT2A
SCHEMBL6097515 0.74 ERN1 (0.51) ERN1KMT2A
SCHEMBL6040459 0.73 ERN1 (0.70) ERN1TNFRSF1A
SCHEMBL2762231 0.73 ERN1 (1.00) ERN1TNFRSF1A
SCHEMBL6094343 0.72 ERN1 (0.50) ERN1TNFRSF1AHDAC1HDAC2

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 ERN1 2367/4885TNFRSF1A 4880/4885HDAC1 1097/4885

“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.