SCHEMBL4489636

SCHEMBL4489636

C=C(C(=O)OC(C)Cc1ccc(Cl)cc1)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.39
FFAR2 O15552 7/20 0.38
INPPL1 O15357 1/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
XBP1 P17861 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAOB P27338 1/20 0.34
PTPRB P23467 1/20 0.34

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
SCHEMBL4496314 0.84 FFAR2 (0.44) CTSAFFAR2LMNAMEN1KMT2A
SCHEMBL4498395 0.82 L3MBTL1 (0.41) CTSAFFAR2INPPL1LMNAKDM4E
SCHEMBL4496317 0.81 FFAR2 (0.43) CTSAFFAR2LMNAKDM4EPOLB
SCHEMBL4495124 0.78 LMNA (0.42) CTSAFFAR2LMNAMEN1KMT2A
SCHEMBL4485293 0.76 CTSA (0.47) CTSACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL4497668 0.76 CASP1 (0.47) CTSALMNA
SCHEMBL4509791 0.73 ALOX5 (0.36) CTSA
SCHEMBL4495117 0.73 CTSA (0.40) CTSALMNAKDM4EMEN1KMT2A
SCHEMBL4494152 0.73 CTSA (0.38) CTSACNR2
SCHEMBL4492485 0.72 PTPRC (0.45) CTSALMNAKDM4EPOLBMEN1

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 1423/4885FFAR2 233/4885INPPL1 651/4885

“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.