SCHEMBL4099606

SCHEMBL4099606

COc1ccc(C(=O)c2ccc(OCCc3ccc4ccccc4c3)nc2)c(OC(C)(C)C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GCGR P47871 1/20 0.34
PPARA Q07869 5/20 0.33
PPARD Q03181 2/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
VNN1 O95497 1/20 0.33
TRPV1 Q8NER1 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
Trifluoroacetic Acid SCHEMBL4099601 0.91 PPARG (0.44) PPARGPOLBPPARAPPARD
SCHEMBL4098190 0.91 LMNA (0.39) PPARGPOLBKCNH2SCN5ANPC1
SCHEMBL4093282 0.89 PPARG (0.40) PPARGPOLBNPC1MEN1KMT2A
SCHEMBL4108540 0.86 KCNH2 (0.35) PPARGPOLBKCNH2SCN5ANPC1
SCHEMBL4103438 0.86 POLB (0.40) PPARGPOLBNPC1MEN1KMT2A
SCHEMBL4105734 0.84 POLB (0.38) POLBKCNH2SCN5ANPC1MEN1
SCHEMBL4103730 0.84 NPC1 (0.38) POLBKCNH2SCN5ANPC1MEN1
SCHEMBL4103273 0.83 TRPV1 (0.46) POLBNPC1MEN1KMT2AMAPT
SCHEMBL4099640 0.83 POLB (0.39) POLBKCNH2SCN5ANPC1MEN1
SCHEMBL4099611 0.82 RAB9A (0.42) POLBNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC PPARG 23/4885POLB 4406/4885KCNH2 260/4885

“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.