SCHEMBL4489606

SCHEMBL4489606

C=C(C(=O)OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)C(O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MGLL Q99685 6/20 0.44
FAAH O00519 4/20 0.44
FFAR1 O14842 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SCN9A Q15858 2/20 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
SCHEMBL4486483 0.88 FAAH (0.40) MAPK1MGLLFAAHFFAR1L3MBTL1
SCHEMBL4501790 0.85 L3MBTL1 (0.47) FFAR1MRGPRX4L3MBTL1GAAMAPT
SCHEMBL4489548 0.85 MAPK1 (0.45) MAPK1MGLLFAAHFFAR1MRGPRX4
SCHEMBL3101778 0.84 FAAH (0.49) MAPK1MGLLFAAHFFAR1MRGPRX4
SCHEMBL4486868 0.84 FFAR1 (0.42) FFAR1MRGPRX4NPC1RAB9AALDH1A1
SCHEMBL4498439 0.84 CTSA (0.51) FFAR1MRGPRX4NPC1RAB9A
SCHEMBL13817517 0.82 FFAR1 (0.41) FFAR1MRGPRX4NPC1RAB9AALDH1A1
SCHEMBL4506759 0.81 FFAR1 (0.43) FFAR1MAPTNPC1RAB9A
SCHEMBL4492426 0.79 FFAR1 (0.39) FFAR1MRGPRX4L3MBTL1GAANPC1
SCHEMBL4492518 0.77 CTSA (0.44) FFAR1MAPTNPSR1NPC1RAB9A

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
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 MAPK1 3020/4885MGLL 723/4885FAAH 300/4885

“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.