SCHEMBL4035599

SCHEMBL4035599

Cc1nn(-c2ccccn2)cc1COc1ccc(COc2ccccc2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALKBH1 Q13686 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
CFD P00746 2/20 0.39
F11 P03951 2/20 0.39
TPSB2 P20231 2/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4035243 0.90 PTGDR2 (0.45) PTGDR2L3MBTL1ALKBH1MAPTHTT
SCHEMBL6035222 0.89 PTGDR2 (0.46) PTGDR2L3MBTL1ALKBH1MAPTHTT
SCHEMBL6034575 0.83 FFAR1 (0.53) FFAR1
SCHEMBL4028467 0.81 MAPT (0.40) PTGDR2L3MBTL1ALKBH1MAPTHTT
SCHEMBL4031699 0.76 MAPT (0.38) PTGDR2L3MBTL1ALKBH1MAPTHTT
SCHEMBL4034226 0.76 MAPT (0.37) PTGDR2ALKBH1MAPTHTTNPC1
SCHEMBL4033996 0.75 SMN1; SMN2 (0.52) L3MBTL1MAPTHTTNPC1RAB9A
SCHEMBL4031762 0.74 MAPT (0.38) ALKBH1MAPTHTTNPC1RAB9A
SCHEMBL5376441 0.74 FFAR4 (0.42) PTGDR2L3MBTL1CYP2C9FFAR1
SCHEMBL17892024 0.72 ABCB1 (0.66) L3MBTL1CFDF11TPSB2PLG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK PTGDR2 3157/4885L3MBTL1 437/4885ALKBH1 23/4885

“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.