SCHEMBL4107809

SCHEMBL4107809

COc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)c(OC(C)(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.47
SRD5A2 P31213 1/20 0.46
PTGES O14684 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4107394 0.90 PPARG (0.63) PPARGPOLBNPC1SRD5A2PTGES
SCHEMBL4111929 0.89 POLB (0.42) PPARGPOLBNPC1ALDH1A1HTT
SCHEMBL4098091 0.85 NPC1 (0.56) POLBNPC1ALDH1A1HTTLMNA
SCHEMBL4099824 0.83 PPARG (0.61) PPARGPOLBTDP1
SCHEMBL4099751 0.82 CYP11B1 (0.43) PPARGPOLBNPC1KDM4EELANE
SCHEMBL4097643 0.81 PPARG (0.57) PPARGPOLBNPC1ALDH1A1HTT
SCHEMBL4098899 0.81 PPARG (0.54) PPARGPOLBNPC1LMNACYP1A2
SCHEMBL4103033 0.81 POLB (0.56) POLBNPC1SRD5A2PTGESALDH1A1
SCHEMBL28249518 0.80 POLB (0.67) POLBNPC1ALDH1A1HTTLMNA
SCHEMBL4096408 0.80 NPC1 (0.42) PPARGPOLBNPC1ALDH1A1HTT

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 4406/4885NPC1 170/4885

“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.