SCHEMBL6034853

SCHEMBL6034853

CCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CCCOc1cc(CCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.42
PPARA Q07869 14/20 0.42
DGAT1 O75907 3/20 0.38
NR3C1 P04150 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PPARG P37231 1/20 0.38
RXRG P48443 1/20 0.38
ESR2 Q92731 1/20 0.38
LTB4R Q15722 2/20 0.37
FABP3 P05413 1/20 0.37

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
SCHEMBL1633424 0.91 SMN1; SMN2 (0.37) PPARDPPARADGAT1NR3C1THRA
SCHEMBL6035372 0.88 PPARD (0.36) PPARDPPARADGAT1NR3C1THRA
SCHEMBL6035388 0.86 SMN1; SMN2 (0.37) PPARDPPARADGAT1NR3C1THRA
SCHEMBL6036355 0.84 ALDH1A1 (0.39) PPARDPPARADGAT1FABP3
SCHEMBL6035191 0.83 MRGPRX4 (0.35) PPARDPPARATHRATHRBRXRA
SCHEMBL6035705 0.81 PPARA (0.45) PPARDPPARADGAT1PPARG
SCHEMBL6034689 0.80 PPARD (0.36) PPARDPPARALTB4RFABP3
SCHEMBL6035777 0.80 SMN1; SMN2 (0.37) PPARDPPARAPPARGLTB4R
SCHEMBL6035734 0.79 PPARD (0.46) PPARDPPARANR3C1THRATHRB
SCHEMBL6035370 0.79 GCGR (0.37) PPARDPPARAPPARGLTB4RFABP3

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 PPARD 2488/4885PPARA 1717/4885DGAT1 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.