SCHEMBL4492518

SCHEMBL4492518

C=C(C(=O)OCc1cccc(C)c1)C(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.44
GRIN2B Q13224 1/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 3/20 0.39
ALOX5 P09917 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4499116 0.87 CTSA (0.47) CTSAMAOBALOX5MMP2MMP9
SCHEMBL4501790 0.85 L3MBTL1 (0.47) CTSAMAOBMMP12FFAR1NPC1
SCHEMBL4501448 0.84 CTSA (0.41) CTSAMAOBALOX5FFAR1
SCHEMBL4498439 0.83 CTSA (0.51) CTSAALOX5MMP2MMP9FFAR1
SCHEMBL4482931 0.83 CASP1 (0.39) CTSAALOX5LMNANPC1RAB9A
SCHEMBL4492485 0.81 PTPRC (0.45) CTSAPOLBALOX5LMNANPC1
SCHEMBL4499232 0.81 ALOX5 (0.38) CTSAMAOBALOX5FFAR1NPC1
SCHEMBL13817541 0.81 CTSA (0.37) CTSAALOX5FFAR1LMNANPC1
SCHEMBL4494152 0.80 CTSA (0.38) CTSAFFAR1
SCHEMBL4498395 0.80 L3MBTL1 (0.41) CTSAPOLBLMNAMAPT

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 CTSA 1423/4885GRIN2B 417/4885POLB 4306/4885

“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.