SCHEMBL4097382

SCHEMBL4097382

COc1ccc(C(=O)c2ccc(OCc3ccc(OC(F)(F)F)c(Cl)c3)nc2)c(OC(C)(C)C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
VNN1 O95497 1/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
PPARG P37231 2/20 0.36
SCN3A Q9NY46 3/20 0.35
SCN9A Q15858 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALOX5AP P20292 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 SCHEMBL4097380 0.91 PPARA (0.43) PTGDR2VNN1PPARDPPARAMRGPRX4
SCHEMBL4100119 0.88 NPC1 (0.37) VNN1NPC1TDP1L3MBTL1HDAC1
SCHEMBL4103438 0.86 POLB (0.40) VNN1MRGPRX4PPARGNPC1TDP1
SCHEMBL4102685 0.85 NPC1 (0.37) PPARDPPARAMRGPRX4PPARGNPC1
SCHEMBL4102427 0.85 EPHX2 (0.41) NPC1TDP1L3MBTL1HDAC8
SCHEMBL4100251 0.84 MAPT (0.38) NPC1TDP1L3MBTL1
SCHEMBL4098190 0.82 LMNA (0.39) PPARGNPC1
SCHEMBL4093282 0.81 PPARG (0.40) PPARDPPARAPPARGNPC1TDP1
SCHEMBL4092277 0.81 PPARG (0.48) PTGDR2PPARDPPARAMRGPRX4PPARG
SCHEMBL4103730 0.80 NPC1 (0.38) NPC1TDP1L3MBTL1

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 PTGDR2 1615/4885VNN1 3503/4885PPARD 30/4885

“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.