SCHEMBL4102102

SCHEMBL4102102

COc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)no3)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 5/20 0.54
MAPT P10636 5/20 0.53
FFAR1 O14842 2/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
PPARA Q07869 1/20 0.49
TP53 P04637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 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
SCHEMBL4107386 0.92 MAPT (0.52) GSTP1MAPTFFAR1NPC1RAB9A
SCHEMBL4102084 0.85 SMPD1 (0.51) MAPTFFAR1NPC1SMN1; SMN2TDP1
SCHEMBL4098151 0.84 PPARA (0.50) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL4100378 0.84 L3MBTL1 (0.55) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4107394 0.82 PPARG (0.63) NPC1TDP1L3MBTL1MAPK1PPARA
SCHEMBL4096147 0.82 PPARG (0.49) MAPTFFAR1NPC1MAPK1PPARA
SCHEMBL4103807 0.81 PPARA (0.58) MAPTFFAR1PPARATP53
SCHEMBL4097643 0.80 PPARG (0.57) NPC1SMN1; SMN2TDP1L3MBTL1MAPK1
SCHEMBL4108188 0.79 PPARG (0.51) NPC1PPARA
SCHEMBL4109168 0.79 PTGER4 (0.47) MAPTNPC1SMN1; SMN2TDP1MAPK1

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 GSTP1 978/4885MAPT 3533/4885FFAR1 20/4885

“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.