SCHEMBL4489986

SCHEMBL4489986

C=C(C(=O)OCc1cc(Cl)ccc1Cl)C(O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP1 P29466 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
ALKBH1 Q13686 1/20 0.34
MAOB P27338 1/20 0.33
ABL1 P00519 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
SCHEMBL13817540 0.88 NPC1 (0.39) CTSAABL1
SCHEMBL4495946 0.87 CASP1 (0.44) CTSAL3MBTL1CASP1MEN1PKM
SCHEMBL4498395 0.84 L3MBTL1 (0.41) CTSAL3MBTL1CASP1MEN1CYP1A2
SCHEMBL4492485 0.83 PTPRC (0.45) CTSACASP1MEN1CYP1A2CYP2D6
SCHEMBL4498480 0.83 CASP1 (0.40) CTSAL3MBTL1CASP1MEN1KMT2A
SCHEMBL4499116 0.83 CTSA (0.47) CTSAL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4495117 0.82 CTSA (0.40) CTSAMEN1PKMKMT2ATDP1
SCHEMBL4492735 0.82 CASP1 (0.43) CTSAL3MBTL1CASP1MEN1CYP1A2
SCHEMBL4494152 0.82 CTSA (0.38) CTSACASP1
SCHEMBL13817479 0.80 TDP1 (0.34) CTSAL3MBTL1CASP1MEN1KMT2A

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 1423/4885SCN5A 1285/4885SCN9A 1033/4885

“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.