SCHEMBL6034656

SCHEMBL6034656

CCOC(=O)C(C)(C)Oc1cccc(OCCCc2cn(Cc3ccccc3)nc2OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
ALDH1A1 P00352 2/20 0.41
FBP1 P09467 1/20 0.40
KLKB1 P03952 2/20 0.38
CREBBP Q92793 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
TLR7 Q9NYK1 4/20 0.37
KMT2A Q03164 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6034493 0.97 PPARA (0.50) PPARAPPARGALDH1A1FBP1KLKB1
SCHEMBL6281639 0.84 ALDH1A1 (0.41) PPARAPPARGALDH1A1KLKB1CREBBP
SCHEMBL6035100 0.78 PPARA (0.50) PPARAPPARGALDH1A1FBP1ABCB11
SCHEMBL5892173 0.76 PPARA (0.60) PPARAPPARGALDH1A1FBP1ABCB11
SCHEMBL6035775 0.76 PPARG (0.41) PPARAPPARGSLC16A3SLC16A1
SCHEMBL6035744 0.75 PPARA (0.52) PPARAPPARGALDH1A1FBP1ABCB11
SCHEMBL6034895 0.75 PPARG (0.43) PPARAPPARGSLC16A3SLC16A1MCTS1
SCHEMBL6035146 0.75 PPARG (0.44) PPARAPPARGSLC16A3SLC16A1
SCHEMBL5892198 0.75 PPARA (0.59) PPARAPPARGALDH1A1FBP1ABCB11
SCHEMBL5373814 0.74 CYP4F2 (0.50) ALDH1A1CREBBPKMT2ALMNA

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 1 patent. 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

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 1037/4885ALDH1A1 1442/4885

“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.