SCHEMBL4499433

SCHEMBL4499433

C=C(C(=O)OCc1cccc(Oc2ccc(Cl)cn2)c1)C(O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
GRM8 O00222 1/20 0.39
GRM7 Q14831 1/20 0.39
GRM4 Q14833 1/20 0.39
SCN9A Q15858 2/20 0.39
PPARG P37231 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LIPE Q05469 1/20 0.35
MGLL Q99685 3/20 0.35
GRM2 Q14416 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPARA Q07869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL4489548 0.88 MAPK1 (0.45) FAAHSCN9ALIPEMGLLFFAR1
SCHEMBL3103227 0.85 FAAH (0.47) FAAHGRM8GRM7GRM4PPARG
SCHEMBL4486483 0.85 FAAH (0.40) FAAHGRM8GRM7GRM4SCN9A
SCHEMBL4498270 0.80 FFAR1 (0.41) KMT2AMEN1ALDH1A1FFAR1
SCHEMBL13817512 0.78 FFAR1 (0.39) KMT2AMEN1ALDH1A1FFAR1
SCHEMBL4503616 0.77 LIPE (0.50) SCN9ALIPELMNA
SCHEMBL3105922 0.74 HTT (0.41) FAAHGRM8GRM7GRM4SCN9A
SCHEMBL13817535 0.73 NPSR1 (0.44) FAAHGRM4PPARGKMT2AMEN1
SCHEMBL3101778 0.73 FAAH (0.49) FAAHMGLLALDH1A1FFAR1
SCHEMBL4489606 0.73 MAPK1 (0.45) FAAHSCN9ALIPEMGLLNPSR1

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 300/4885GRM8 2659/4885GRM7 373/4885

“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.