SCHEMBL4103273

SCHEMBL4103273

COc1ccc(C(=O)c2ccc(OCCc3c[nH]c4ccccc34)nc2)c(OC(C)(C)C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.46
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
CDK2 P24941 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
USP2 O75604 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
Trifluoroacetic Acid SCHEMBL4103267 0.91 TRPV1 (0.47) TRPV1NPC1POLBRAB9ACDK4
SCHEMBL4099606 0.83 PPARG (0.35) TRPV1NPC1POLBMEN1KMT2A
SCHEMBL4093282 0.82 PPARG (0.40) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4098190 0.81 LMNA (0.39) NPC1POLBMEN1KMT2AMAPT
SCHEMBL4105734 0.81 POLB (0.38) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4103438 0.81 POLB (0.40) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4103730 0.81 NPC1 (0.38) TRPV1NPC1POLBRAB9AMEN1
SCHEMBL4108540 0.80 KCNH2 (0.35) TRPV1NPC1POLBMEN1KMT2A
SCHEMBL4099708 0.80 TP53 (0.48) TRPV1NPC1POLBRAB9ACDK4
SCHEMBL4099640 0.80 POLB (0.39) TRPV1NPC1POLBRAB9AMEN1

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 TRPV1 1163/4885NPC1 170/4885POLB 4406/4885

“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.