SCHEMBL6035372

SCHEMBL6035372

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCCOc1cc(CCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.36
PPARA Q07869 9/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
LTB4R Q15722 2/20 0.35
GCGR P47871 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 2/20 0.33
NR3C1 P04150 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PPARG P37231 1/20 0.33
RXRG P48443 1/20 0.33

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 0.98 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4ELMNA
SCHEMBL6035388 0.95 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4ELMNA
SCHEMBL6035191 0.90 MRGPRX4 (0.35) PPARDPPARALTB4RGCGRTHRA
SCHEMBL6034858 0.89 GCGR (0.36) PPARDPPARASMN1; SMN2KDM4ELMNA
SCHEMBL6034853 0.88 PPARD (0.42) PPARDPPARALTB4RDGAT1NR3C1
SCHEMBL6036236 0.88 MLYCD (0.35) PPARDPPARALTB4RGCGRPPARG
SCHEMBL6034689 0.88 PPARD (0.36) PPARDPPARASMN1; SMN2LTB4RGCGR
SCHEMBL6035777 0.88 SMN1; SMN2 (0.37) PPARDPPARASMN1; SMN2KDM4ELMNA
SCHEMBL6035370 0.87 GCGR (0.37) PPARDPPARASMN1; SMN2KDM4ELMNA
SCHEMBL6036323 0.86 LTB4R (0.38) PPARDPPARAKDM4ELTB4RGCGR

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 1717/4885SMN1; SMN2 4408/4885

“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.