SCHEMBL4099640

SCHEMBL4099640

COc1ccc(C(=O)c2ccc(OCC(c3ccccc3)c3ccccc3)nc2)c(OC(C)(C)C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ELANE P08246 2/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34

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 SCHEMBL4099638 0.91 POLB (0.41) POLBNPC1KDM4EEPHX2PTGDR2
SCHEMBL4103438 0.88 POLB (0.40) POLBNPC1KDM4EELANELMNA
SCHEMBL4103729 0.86 POLB (0.37) POLBNPC1KDM4EPTGDR2ELANE
SCHEMBL4105734 0.85 POLB (0.38) POLBNPC1KDM4EEPHX2PTGDR2
SCHEMBL4103730 0.83 NPC1 (0.38) POLBNPC1KDM4EELANELMNA
SCHEMBL4093282 0.83 PPARG (0.40) POLBNPC1MEN1KMT2ATDP1
SCHEMBL4099606 0.83 PPARG (0.35) POLBNPC1KDM4EMEN1KMT2A
SCHEMBL4100119 0.82 NPC1 (0.37) POLBNPC1ELANELMNACYP1A2
SCHEMBL4102685 0.82 NPC1 (0.37) POLBNPC1LMNACYP1A2CYP2C19
SCHEMBL4099611 0.82 RAB9A (0.42) POLBNPC1TDP1L3MBTL1GAA

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 POLB 4406/4885NPC1 170/4885KDM4E 310/4885

“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.