SCHEMBL4099708

SCHEMBL4099708

COc1ccc(C(=O)c2ccc(OCCc3c[nH]c4ccccc34)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDK2 P24941 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 3/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
GPR84 Q9NQS5 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
USP2 O75604 1/20 0.43
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4103267 0.88 TRPV1 (0.47) TP53SMN1; SMN2NPSR1CDK2NPC1
SCHEMBL4097793 0.83 PPARG (0.64) NPC1POLBPPARGPPARDPPARA
SCHEMBL4107824 0.80 NPC1 (0.58) NPSR1NPC1POLBPPARGMEN1
SCHEMBL4103273 0.80 TRPV1 (0.46) TP53SMN1; SMN2NPSR1CDK2NPC1
SCHEMBL4092953 0.79 PPARG (0.59) NPC1POLBPPARGPPARDPPARA
SCHEMBL4099824 0.79 PPARG (0.61) POLBPPARGPPARDPPARA
SCHEMBL4097609 0.78 NPC1 (0.52) SMN1; SMN2NPSR1NPC1POLBRAB9A
SCHEMBL4096710 0.78 PPARG (0.48) SMN1; SMN2NPC1POLBRAB9APPARG
SCHEMBL4107394 0.77 PPARG (0.63) NPC1POLBPPARGPPARDPPARA
SCHEMBL4099680 0.77 PPARG (0.55) SMN1; SMN2NPSR1NPC1PPARGMEN1

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 TP53 2321/4885SMN1; SMN2 4798/4885NPSR1 2804/4885

“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.