SCHEMBL6035702

SCHEMBL6035702

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cc(OC)ccc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.40
PPARG P37231 5/20 0.39
LIPE Q05469 1/20 0.38
PPARD Q03181 7/20 0.37
PPARA Q07869 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 3/20 0.37
AKR1C2 P52895 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 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
SCHEMBL6036318 0.94 PPARD (0.40) AKR1C3PPARGPPARDPPARAHSD17B10
SCHEMBL6034497 0.93 PPARG (0.40) PPARGLIPEPPARDPPARAMEN1
SCHEMBL6035760 0.88 SMN1; SMN2 (0.43) PPARGPPARDPPARASMN1; SMN2KDM4E
SCHEMBL6034299 0.87 RXRA (0.38) AKR1C3PPARGPPARDPPARASMN1; SMN2
SCHEMBL6036338 0.87 AKR1C3 (0.40) AKR1C3PPARGLIPEPPARDPPARA
SCHEMBL6035713 0.86 PPARG (0.43) PPARGPPARDPPARA
SCHEMBL6035914 0.86 PPARG (0.43) PPARGPPARDPPARA
SCHEMBL6034463 0.86 PPARD (0.43) PPARDPPARAKMT2ASMN1; SMN2
SCHEMBL1633062 0.86 PPARG (0.41) PPARGPPARDPPARASMN1; SMN2KDM4E
SCHEMBL6034609 0.86 SMN1; SMN2 (0.43) PPARGPPARDPPARASMN1; SMN2KDM4E

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 AKR1C3 227/4885PPARG 1037/4885LIPE 235/4885

“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.