SCHEMBL4100042

SCHEMBL4100042

COCOc1c(OC)cccc1C(=O)N(C)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NFE2L2 Q16236 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
SCN9A Q15858 2/20 0.38
CTSD P07339 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8577211 0.85 RAB9A (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18702922 0.83 SCN9A (0.53) NPC1RAB9AKMT2ASCN9AMEN1
SCHEMBL8481540 0.81 PTPN1 (0.50) ALDH1A1PTPN1HPGDSMN1; SMN2NPC1
SCHEMBL9325951 0.77 PTPN1 (0.47) ALDH1A1PTPN1HPGDSMN1; SMN2NPC1
SCHEMBL307126 0.77 CTSD (0.51) HPGDSMN1; SMN2NPC1RAB9ACTSD
SCHEMBL4804041 0.76 KAT6A (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL13265349 0.76 ABCB1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL4098911 0.76 TAS1R3 (0.49) ALDH1A1HPGDTP53MAPTMAPK1
SCHEMBL2481460 0.75 LPAR5 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1491849 0.75 CTSD (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 ALDH1A1 426/4885PTPN1 188/4885HPGD 2190/4885

“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.