SCHEMBL4098911

SCHEMBL4098911

COc1cccc(C(=O)N(C)OC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
KLKB1 P03952 1/20 0.47
TLR2 O60603 2/20 0.45
TLR1 Q15399 2/20 0.45
TLR6 Q9Y2C9 2/20 0.45
ERN1 O75460 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL307126 0.84 CTSD (0.51) HPGDABCG2
SCHEMBL4804041 0.83 KAT6A (0.47) KDM4EMAPTMAPK1ALDH1A1LMNA
SCHEMBL13265349 0.83 ABCB1 (0.46) MAPTMAPK1ALDH1A1TP53LPAR5
SCHEMBL8577211 0.83 RAB9A (0.52) KDM4EMAPTMAPK1HSD17B10ALDH1A1
SCHEMBL480276 0.82 KDM4E (0.59) TAS1R3TAS1R1TAS1R2KDM4EMAPT
SCHEMBL2481460 0.82 LPAR5 (0.42) KDM4EMAPTMAPK1HSD17B10ALDH1A1
SCHEMBL1491849 0.82 CTSD (0.42) KDM4EMAPTMAPK1HSD17B10ALDH1A1
SCHEMBL2066210 0.80 KDM4E (0.57) TAS1R3TAS1R1TAS1R2KDM4EMAPT
SCHEMBL22588880 0.80 KDM4E (0.57) TAS1R3TAS1R1TAS1R2KDM4EMAPT
SCHEMBL12261019 0.80 MMP2 (0.53) KDM4EMAPTHSD17B10ALDH1A1LMNA

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 TAS1R3 2992/4885TAS1R1 2968/4885TAS1R2 3517/4885

“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.