SCHEMBL4499116

SCHEMBL4499116

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.47
HCAR2 Q8TDS4 1/20 0.41
FFAR1 O14842 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALOX5 P09917 1/20 0.39
NR4A2 P43354 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL4485295 0.90 CTSA (0.46) CTSALMNAMAPTMAOBCNR1
SCHEMBL4494152 0.89 CTSA (0.38) CTSAFFAR1CNR2
SCHEMBL4492518 0.87 CTSA (0.44) CTSAFFAR1MMP2MMP9MMP12
SCHEMBL4498395 0.86 L3MBTL1 (0.41) CTSAKDM4ELMNAMAPTL3MBTL1
SCHEMBL4492485 0.86 PTPRC (0.45) CTSAKDM4ELMNAMAPTALOX5
SCHEMBL4501790 0.85 L3MBTL1 (0.47) CTSAFFAR1MMP1MMP12MAPT
SCHEMBL4486483 0.85 FAAH (0.40) CTSAFFAR1KDM4EMAPTL3MBTL1
SCHEMBL4501448 0.84 CTSA (0.41) CTSAFFAR1ALOX5MAOB
SCHEMBL4492735 0.84 CASP1 (0.43) CTSAKDM4EHPGDL3MBTL1CYP1A2
SCHEMBL4499232 0.83 ALOX5 (0.38) CTSAFFAR1ALOX5MAOAMAOB

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 1423/4885HCAR2 88/4885FFAR1 304/4885

“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.