SCHEMBL6091847

SCHEMBL6091847

C=C(C(=O)c1c(OC)ccc(-c2cccs2)c1OC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
ERN1 O75460 1/20 0.41
KRAS P01116 2/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 9/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 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
SCHEMBL6091660 0.86 ERN1 (0.44) ERN1MAPTMEN1KMT2ALMNA
SCHEMBL6093223 0.83 TNFRSF1A (0.45) ERN1MAPTMEN1KMT2AALDH1A1
SCHEMBL6092820 0.80 ALDH1A1 (0.43) ABCB1ERN1MAPTMEN1KMT2A
SCHEMBL6093302 0.80 ABCB1 (0.50) ABCB1MAPTMEN1KMT2ANPC1
SCHEMBL6091494 0.79 TNFRSF1A (0.44) ERN1MAPTMEN1KMT2AALDH1A1
SCHEMBL6093475 0.78 ERN1 (0.45) ERN1MAPTMEN1KMT2ALMNA
SCHEMBL6093242 0.78 SLC6A9 (0.40) ERN1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6095260 0.78 ERN1 (0.46) ERN1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6092789 0.78 ERN1 (0.44) ERN1THRBMAPTMEN1KMT2A
SCHEMBL6091842 0.76 ERN1 (0.47) ABCB1ERN1KRASTHRBMAPT

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 ABCB1 26/4885ERN1 2367/4885KRAS 289/4885

“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.