SCHEMBL6091768

SCHEMBL6091768

CCOC(=O)C(C)(C)Oc1ccc(C=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 11/20 0.53
▸ CYP1A2 P05177 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ ALDH1A3 P47895 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL1549980 0.86 FBP1 (0.68) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL5483113 0.85 FBP1 (0.54) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL5605607 0.84 ALDH1A1 (0.56) FBP1TSHRALDH1A1SMN1; SMN2
SCHEMBL29238993 0.84 ALDH1A1 (0.54) FBP1TSHRALDH1A1SMN1; SMN2
SCHEMBL4682766 0.84 FBP1 (0.69) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL5476491 0.84 FBP1 (0.53) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL9034864 0.83 PPARA (0.49) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL1116734 0.81 CYP1A2 (0.61) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL275504 0.79 FBP1 (0.52) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL814688 0.77 PPARA (0.68) FBP1CYP1A2PPARAABCB11CYP3A4

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 760/4885CYP1A2 38/4885PPARA 457/4885

“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.

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