SCHEMBL6036068

SCHEMBL6036068

CCOC(=O)C(C)(C)Oc1ccc(CC)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.60
ABCB11 O95342 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
HTR2A P28223 1/20 0.60
PMP22 Q01453 1/20 0.60
FBP1 P09467 9/20 0.52
PPARG P37231 4/20 0.51
ALDH1A1 P00352 1/20 0.41
OPRK1 P41145 1/20 0.39
POLB P06746 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
SCHEMBL6035075 0.87 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL198547 0.84 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL15580691 0.84 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4614967 0.84 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6036228 0.83 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL498682 0.83 CYP3A4 (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL199420 0.83 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL197882 0.82 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5969669 0.82 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3682822 0.82 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR

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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARA 1717/4885ABCB11 121/4885CYP1A2 95/4885

“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.