SCHEMBL4100378

SCHEMBL4100378

COc1ccc(C(=O)c2ccc(OCc3cc(-c4ccccc4)no3)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.48
PPARG P37231 1/20 0.47
PTPN1 P18031 2/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL4102084 0.85 SMPD1 (0.51) L3MBTL1NPC1SMN1; SMN2TDP1MAPT
SCHEMBL4102102 0.84 GSTP1 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4098151 0.84 PPARA (0.50) NPC1RAB9ATDP1MAPTPOLB
SCHEMBL4107394 0.82 PPARG (0.63) L3MBTL1NPC1TDP1POLBPPARG
SCHEMBL14269429 0.81 RAB9A (0.63) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4096147 0.80 PPARG (0.49) NPC1MAPTPOLBPPARG
SCHEMBL4108188 0.79 PPARG (0.51) NPC1POLBPPARG
SCHEMBL4103807 0.79 PPARA (0.58) MAPTPOLBPPARG
SCHEMBL4097643 0.78 PPARG (0.57) L3MBTL1NPC1SMN1; SMN2TDP1POLB
SCHEMBL4098899 0.78 PPARG (0.54) NPC1RAB9ASMN1; SMN2TDP1POLB

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 L3MBTL1 1870/4885NPC1 170/4885RAB9A 4163/4885

“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.