SCHEMBL6035680

SCHEMBL6035680

CCOc1nn(-c2cc(C(F)(F)F)ccn2)cc1CCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.40
LTB4R Q15722 1/20 0.40
ICMT O60725 1/20 0.38
NR1H3 Q13133 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RXRA P19793 2/20 0.37
NR1H2 P55055 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
MAPT P10636 1/20 0.37
VHL P40337 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL6035583 0.89 PLA2G4B (0.40) PLA2G4BLTB4RICMTNR1H3ALDH1A1
SCHEMBL6035564 0.88 PLA2G4B (0.42) PLA2G4BLTB4RNR1H3ALDH1A1RXRA
SCHEMBL6036223 0.86 PLA2G4B (0.43) PLA2G4BLTB4RICMTNR1H3ALDH1A1
SCHEMBL6034688 0.86 PPARA (0.40) CYP4F2CYP4A11PPARAPPARDFFAR1
SCHEMBL6036234 0.85 PPARD (0.41) LTB4RRXRARXRBRXRGPPARA
SCHEMBL6035924 0.84 SMN1; SMN2 (0.39) PLA2G4BLTB4RICMTNR1H3ALDH1A1
SCHEMBL6035506 0.83 PPARG (0.41) LTB4RRXRANR1H2PPARAPPARD
SCHEMBL6034677 0.81 LTB4R (0.40) LTB4RCYP4F2CYP4A11KDM4EPPARA
SCHEMBL6036260 0.79 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EPPARAPPARD
SCHEMBL6035794 0.78 PPARG (0.39) ALDH1A1KMT2AMEN1PPARAPPARD

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 PLA2G4B 4180/4885LTB4R 1376/4885ICMT 3897/4885

“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.