SCHEMBL4091547

SCHEMBL4091547

COCOc1cc(OC)ccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
LMNA P02545 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 5/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
PGR P06401 1/20 0.54
CYP2D6 P10635 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
HRH1 P35367 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL4100176 0.90 MAPT (0.64) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL29394510 0.87 NPC1 (0.84) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL854757 0.87 NPC1 (0.84) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL4103957 0.86 NPC1 (0.51) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL4103033 0.85 POLB (0.56) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL4097419 0.82 MAOB (0.51) NPC1LMNACYP1A2CYP2C19MAPT
SCHEMBL4092251 0.82 NPC1 (0.56) NPC1LMNACYP1A2CYP2C19CYP3A4
SCHEMBL4109696 0.81 LIG1 (0.51) LMNACYP3A4KMT2AMAPTHTT
SCHEMBL4093376 0.81 CYP3A4 (0.45) NPC1LMNACYP2C19CYP3A4KMT2A
SCHEMBL6171166 0.81 HPGD (0.79) NPC1LMNACYP1A2CYP2C19CYP3A4

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 170/4885LMNA 2967/4885CYP1A2 1067/4885

“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.