SCHEMBL4486483

SCHEMBL4486483

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
ALOX5 P09917 1/20 0.37
CTSA P10619 7/20 0.37
PPARG P37231 1/20 0.37
SCN9A Q15858 2/20 0.35
FFAR1 O14842 1/20 0.35
GRM2 Q14416 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MGLL Q99685 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4489606 0.88 MAPK1 (0.45) FAAHSCN9AFFAR1MGLLNPC1
SCHEMBL4499116 0.85 CTSA (0.47) ALOX5CTSAFFAR1KDM4EMAPT
SCHEMBL4499433 0.85 FAAH (0.40) FAAHPPARGSCN9AFFAR1GRM2
SCHEMBL3103227 0.84 FAAH (0.47) FAAHPPARGGRM8GRM7GRM4
SCHEMBL4486868 0.81 FFAR1 (0.42) ALOX5CTSAFFAR1MEN1KMT2A
SCHEMBL4498395 0.80 L3MBTL1 (0.41) CTSAMEN1KMT2AKDM4EGAA
SCHEMBL4498439 0.79 CTSA (0.51) ALOX5CTSAFFAR1NPC1RAB9A
SCHEMBL4492518 0.79 CTSA (0.44) ALOX5CTSAFFAR1NPC1RAB9A
SCHEMBL4494152 0.78 CTSA (0.38) CTSAFFAR1
SCHEMBL13817517 0.78 FFAR1 (0.41) ALOX5CTSAFFAR1MEN1KMT2A

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 FAAH 300/4885ALOX5 336/4885CTSA 1423/4885

“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.