SCHEMBL4492735

SCHEMBL4492735

C=C(C(=O)OCc1c(Cl)cccc1Cl)C(O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSA P10619 9/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4498480 0.89 CASP1 (0.40) CASP1CTSAKMT2AMEN1L3MBTL1
SCHEMBL4495946 0.88 CASP1 (0.44) CASP1KDM4EALDH1A1CTSAHPGD
SCHEMBL4499116 0.84 CTSA (0.47) KDM4ECTSAHPGDCYP1A2CYP2C19
SCHEMBL4498395 0.83 L3MBTL1 (0.41) CASP1KDM4EALDH1A1CTSAGAA
SCHEMBL4487148 0.83 CTSA (0.42) CASP1ALDH1A1CTSAKMT2AMEN1
SCHEMBL4492244 0.83 CTSA (0.32) ALDH1A1CTSA
SCHEMBL4492485 0.83 PTPRC (0.45) CASP1KDM4EALDH1A1CTSAKMT2A
SCHEMBL4497670 0.83 CASP1 (0.44) CASP1CTSAKMT2AMEN1L3MBTL1
SCHEMBL4489986 0.82 CTSA (0.38) CASP1ALDH1A1CTSATDP1GAA
SCHEMBL4501259 0.81 NPC1 (0.38) CASP1ALDH1A1CTSAHPGDKMT2A

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 CASP1 443/4885KDM4E 677/4885ALDH1A1 62/4885

“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.