SCHEMBL6034682

SCHEMBL6034682

CCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CCCO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
TLR8 Q9NR97 1/20 0.42
DGAT1 O75907 4/20 0.39
TRPA1 O75762 3/20 0.37
SCN9A Q15858 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6034904 0.85 SMN1; SMN2 (0.42) TLR8
SCHEMBL6035551 0.82 CYP4F2 (0.41) NOTUMDGAT1TRPA1
SCHEMBL6036260 0.82 ALDH1A1 (0.35) TLR8DGAT1FFAR4PPARDPPARA
SCHEMBL6036189 0.81 TLR8 (0.44) NOTUMTLR8TRPA1SCN9AFFAR4
SCHEMBL6035734 0.79 PPARD (0.46) PPARDPPARA
SCHEMBL6034564 0.78 PPARD (0.46) PPARDPPARA
SCHEMBL6034578 0.78 TLR8 (0.44) NOTUMTLR8TRPA1SCN9ASRC
SCHEMBL6035564 0.78 PLA2G4B (0.42) DGAT1PPARDPPARA
SCHEMBL6034531 0.78 SMN1; SMN2 (0.43) SCN9A
SCHEMBL16634906 0.77 TRPA1 (0.49) NOTUMTRPA1SCN9ASRCBRAF

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 NOTUM 1167/4885TLR8 4191/4885DGAT1 1683/4885

“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.