SCHEMBL6035100

SCHEMBL6035100

CCOC(=O)C(C)(C)Oc1cccc(OCCCc2c[nH]nc2OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
FBP1 P09467 6/20 0.45
TSHR P16473 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARD Q03181 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6035744 0.97 PPARA (0.52) PPARAPPARGFBP1TSHRABCB11
SCHEMBL6364876 0.82 PLA2G4B (0.39) PPARAPPARGL3MBTL1MAPK1KDM4E
SCHEMBL6275303 0.80 PPARA (0.39) PPARAPPARGL3MBTL1MAPK1KDM4E
SCHEMBL5892173 0.79 PPARA (0.60) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5892198 0.78 PPARA (0.59) PPARAPPARGFBP1TSHRABCB11
SCHEMBL6034656 0.78 PPARA (0.48) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5892213 0.77 PPARA (0.57) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3688960 0.76 PPARA (0.56) PPARAPPARGFBP1TSHRABCB11
SCHEMBL6034493 0.76 PPARA (0.50) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5660952 0.73 PPARA (0.54) PPARAPPARGFBP1TSHRABCB11

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 1717/4885PPARG 1037/4885FBP1 361/4885

“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.