SCHEMBL6092795

SCHEMBL6092795

CCOC(=O)C(C)(C)Oc1ccc(C=O)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.46
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERN1 O75460 1/20 0.40
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL6091552 0.83 ALDH1A1 (0.41) FBP1ALDH1A1GAAMAPTKEAP1
SCHEMBL6092109 0.83 ALDH1A1 (0.41) FBP1ALDH1A1GAAMAPTKEAP1
SCHEMBL6040642 0.82 TNFRSF1A (0.48) FBP1ALDH1A1GAAMAPTKEAP1
SCHEMBL6040611 0.82 TNFRSF1A (0.52) FBP1ALDH1A1GAAMAPTKEAP1
SCHEMBL6094343 0.81 ERN1 (0.50) FBP1ERN1HDAC3HDAC1HDAC2
SCHEMBL1549980 0.79 FBP1 (0.68) FBP1ALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL5483113 0.78 FBP1 (0.54) FBP1ALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL5476491 0.77 FBP1 (0.53) FBP1ALDH1A1HPGDABCB11CYP1A2
SCHEMBL6091768 0.77 FBP1 (0.53) FBP1ALDH1A1KDM4ELMNANPSR1
SCHEMBL4682766 0.77 FBP1 (0.69) FBP1ALDH1A1ABCB11CYP1A2CYP3A4

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 FBP1 760/4885ALDH1A1 159/4885GAA 504/4885

“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.