SCHEMBL4098564

SCHEMBL4098564

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HTT P42858 3/20 0.74
LMNA P02545 2/20 0.74
CYP1A2 P05177 2/20 0.74
PGR P06401 2/20 0.74
SLC6A2 P23975 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2D6 P10635 1/20 0.74
PDE4A P27815 1/20 0.74
MAPK1 P28482 1/20 0.74
HRH1 P35367 1/20 0.74
SLC6A3 Q01959 1/20 0.74
PDE4D Q08499 1/20 0.74
APP P05067 1/20 0.65
PTGES O14684 1/20 0.64
MAOB P27338 4/20 0.63
SRD5A2 P31213 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL2686883 0.92 PTGES (0.70) HPGDALDH1A1HTTLMNACYP1A2
SCHEMBL4549101 0.88 PTGES (0.62) HPGDALDH1A1HTTLMNACYP1A2
SCHEMBL29481015 0.88 MAOB (0.71) HPGDALDH1A1HTTLMNACYP1A2
SCHEMBL26863 0.88 MAOB (0.71) HPGDALDH1A1HTTLMNACYP1A2
Benzophenone SCHEMBL28215327 0.86 MAOB (0.69) HPGDALDH1A1HTTLMNACYP1A2
Oxybenzone SCHEMBL6674080 0.86 HPGD (1.00) HPGDALDH1A1HTTLMNACYP1A2
Oxybenzone SCHEMBL29355332 0.86 HPGD (1.00) HPGDALDH1A1HTTLMNACYP1A2
Oxybenzone SCHEMBL15551 0.86 HPGD (1.00) HPGDALDH1A1HTTLMNACYP1A2
Oxybenzone SCHEMBL5161586 0.86 HPGD (1.00) HPGDALDH1A1HTTLMNACYP1A2
Oxybenzone SCHEMBL419361 0.86 HPGD (1.00) HPGDALDH1A1HTTLMNACYP1A2

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 HPGD 2190/4885ALDH1A1 426/4885HTT 1222/4885

“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.