SCHEMBL3485006

SCHEMBL3485006

CCOC(=O)C(C)(C)Oc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.55
PPARA Q07869 4/20 0.51
TSHR P16473 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
PIN1 Q13526 1/20 0.46
MMP8 P22894 1/20 0.44
PPARG P37231 3/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4111678 0.84 FBP1 (0.58) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL15094227 0.83 PIN1 (0.45) FBP1TSHRPIN1MMP8ALDH1A1
SCHEMBL12670823 0.83 FBP1 (0.56) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4685610 0.82 FBP1 (0.53) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL9034864 0.82 PPARA (0.49) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4423002 0.81 PPARA (0.59) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL14092161 0.81 FBP1 (0.55) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4681650 0.80 FBP1 (0.54) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL31745119 0.80 FBP1 (0.54) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL7981279 0.80 FBP1 (0.54) FBP1PPARATSHRABCB11CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 FBP1 2382/4885PPARA 1045/4885TSHR 3292/4885

“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.