SCHEMBL6093472

SCHEMBL6093472

COc1ccccc1C(C=O)=Cc1c(OC)ccc(-c2cccs2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
TNFRSF1A P19438 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL6094048 0.84 ERN1 (0.50) ERN1TNFRSF1ASMN1; SMN2MAPTRAB9A
SCHEMBL6092784 0.83 ERN1 (0.50) ERN1TNFRSF1ASMN1; SMN2MAPTMEN1
SCHEMBL6093221 0.81 ERN1 (0.48) ERN1TNFRSF1ASMN1; SMN2MAPTRAB9A
SCHEMBL6095253 0.79 ERN1 (0.52) ERN1TNFRSF1ASMN1; SMN2MAPTHPGD
SCHEMBL6091842 0.79 ERN1 (0.47) ERN1TNFRSF1ASMN1; SMN2MAPTRAB9A
SCHEMBL6092824 0.77 TNFRSF1A (0.51) ERN1TNFRSF1ARAB9AMEN1ALDH1A1
SCHEMBL6093616 0.77 ERN1 (0.44) ERN1TNFRSF1AMAPTHPGDMEN1
SCHEMBL6093475 0.73 ERN1 (0.45) ERN1TNFRSF1ASMN1; SMN2MAPTRAB9A
SCHEMBL6095256 0.71 TNFRSF1A (0.47) ERN1TNFRSF1AMEN1ALDH1A1KMT2A
SCHEMBL27601843 0.70 ERN1 (0.55) ERN1TNFRSF1ASMN1; SMN2MAPTRAB9A

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 ERN1 2367/4885TNFRSF1A 4880/4885SMN1; SMN2 2250/4885

“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.