SCHEMBL6034816

SCHEMBL6034816

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cccc(C(C)(C)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PPARD Q03181 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
IDE P14735 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MCL1 Q07820 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL6035523 0.91 SMN1; SMN2 (0.40) PPARGPPARAPPARDSMN1; SMN2KDM4E
SCHEMBL1634400 0.89 PPARA (0.40) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL6035470 0.89 PPARA (0.43) CYP4F2CYP4A11PPARGPPARANR1H2
SCHEMBL6035583 0.87 PLA2G4B (0.40) CYP4F2CYP4A11PPARGPPARANR1H2
SCHEMBL6034586 0.86 PPARA (0.40) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL6034677 0.86 LTB4R (0.40) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL6034603 0.85 PPARA (0.41) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL6036243 0.84 PPARA (0.46) PPARGPPARAPPARDSMN1; SMN2KDM4E
SCHEMBL6035924 0.83 SMN1; SMN2 (0.39) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL6034583 0.83 SMN1; SMN2 (0.39) CYP4F2CYP4A11PPARGPPARAPPARD

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 CYP4F2 90/4885CYP4A11 18/4885PPARG 1037/4885

“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.