SCHEMBL4501790

SCHEMBL4501790

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
NR4A2 P43354 2/20 0.42
MAOB P27338 3/20 0.42
CTSA P10619 3/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL4492426 0.89 FFAR1 (0.39) L3MBTL1ALDH1A1GAAFFAR1NPC1
SCHEMBL4498439 0.88 CTSA (0.51) FFAR1NPC1RAB9ACTSAMRGPRX4
SCHEMBL4506759 0.87 FFAR1 (0.43) FFAR1NPC1RAB9AMMP1MMP12
SCHEMBL13817538 0.85 FFAR1 (0.37) L3MBTL1ALDH1A1GAAFFAR1NPC1
SCHEMBL4486868 0.85 FFAR1 (0.42) ALDH1A1FFAR1NPC1RAB9ACTSA
SCHEMBL4489606 0.85 MAPK1 (0.45) L3MBTL1ALDH1A1GAAFFAR1NPC1
SCHEMBL4499116 0.85 CTSA (0.47) L3MBTL1FFAR1MMP1MMP12NR4A2
SCHEMBL4492518 0.85 CTSA (0.44) FFAR1NPC1RAB9AMMP12MAOB
SCHEMBL4499652 0.83 NPC1 (0.49) L3MBTL1ALDH1A1GAAFFAR1NPC1
SCHEMBL13817517 0.82 FFAR1 (0.41) ALDH1A1FFAR1NPC1RAB9ACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO claimed
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 L3MBTL1 2107/4885ALDH1A1 62/4885GAA 801/4885

“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.