SCHEMBL4496314

SCHEMBL4496314

C=C(C(=O)OC(C)c1ccc(Cl)cc1)C(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 9/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSA P10619 5/20 0.39
SLC6A3 Q01959 1/20 0.36
MAPT P10636 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
RBBP9 O75884 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4485293 0.86 CTSA (0.47) CTSACYP1A2CYP2D6CYP2C19
SCHEMBL4489636 0.84 CTSA (0.39) FFAR2LMNAMEN1KMT2ACTSA
SCHEMBL4509791 0.83 ALOX5 (0.36) CTSA
SCHEMBL4495124 0.81 LMNA (0.42) FFAR2LMNAMEN1KMT2ACTSA
SCHEMBL4497668 0.81 CASP1 (0.47) LMNACTSA
SCHEMBL4498395 0.79 L3MBTL1 (0.41) FFAR2LMNAMEN1KMT2ACTSA
SCHEMBL4496317 0.78 FFAR2 (0.43) FFAR2LMNAMEN1KMT2ACTSA
SCHEMBL4495117 0.76 CTSA (0.40) LMNAMEN1KMT2ACTSAMAPT
SCHEMBL4491155 0.76 CYP19A1 (0.46) FFAR2KMT2ASMN1; SMN2
SCHEMBL4487148 0.76 CTSA (0.42) LMNAMEN1KMT2ACTSAMAPT

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 5 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
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO 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 FFAR2 233/4885LMNA 2062/4885MEN1 722/4885

“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.