SCHEMBL4096408

SCHEMBL4096408

COc1ccc(C(=O)c2ccc(Oc3ccccc3)nc2)c(OC(C)(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.41
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
ELANE P08246 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LIPE Q05469 1/20 0.39
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
HRH1 P35367 1/20 0.38
HTT P42858 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4092187 0.90 NPC1 (0.45) NPC1POLBGRNSORT1ELANE
SCHEMBL4111929 0.88 POLB (0.42) NPC1POLBELANEKDM4ELMNA
SCHEMBL4099751 0.87 CYP11B1 (0.43) NPC1POLBELANEKDM4EMEN1
SCHEMBL4097083 0.83 L3MBTL1 (0.51) NPC1POLBELANEKDM4ELMNA
SCHEMBL4111694 0.80 MAPT (0.48) POLBMAPTPPARGPPARDPPARA
SCHEMBL4107809 0.80 PPARG (0.50) NPC1POLBELANEKDM4ELMNA
SCHEMBL4098091 0.78 NPC1 (0.56) NPC1POLBELANEKDM4ELMNA
SCHEMBL4103438 0.77 POLB (0.40) NPC1POLBELANEKDM4ELMNA
SCHEMBL4103465 0.77 PPARG (0.50) NPC1POLBPPARGPPARDPPARA
SCHEMBL4099640 0.76 POLB (0.39) NPC1POLBELANEKDM4ELMNA

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 NPC1 170/4885POLB 4406/4885GRN 4678/4885

“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.