SCHEMBL5484427

SCHEMBL5484427

CCOC(=O)C(C)(C)Oc1ccc(CN(Cc2nc(Oc3cccc(Br)c3)oc2C)Cc2nccn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.51
PPARG P37231 11/20 0.51
FBP1 P09467 3/20 0.35
TLR7 Q9NYK1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL5669222 0.92 PPARA (0.60) PPARAPPARGKDM4EMAPT
SCHEMBL14414942 0.88 PPARA (0.67) PPARAPPARG
SCHEMBL14414944 0.80 PPARA (0.80) PPARAPPARG
SCHEMBL5484428 0.79 PPARA (0.43) PPARAPPARGFBP1GRM2ABCB11
SCHEMBL5487730 0.76 PPARA (0.74) PPARAPPARG
SCHEMBL14414943 0.74 PPARA (0.68) PPARAPPARG
SCHEMBL5669226 0.70 PPARG (0.51) PPARAPPARG
SCHEMBL14414940 0.68 PPARA (0.67) PPARAPPARG
SCHEMBL14414957 0.68 PPARG (0.71) PPARAPPARG
SCHEMBL5481550 0.67 PPARA (0.89) PPARAPPARG

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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP 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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885FBP1 1961/4885

“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.