SCHEMBL4496418

SCHEMBL4496418

C=C(C(=O)OCc1ccc(Oc2ccccc2)cc1)C(O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MMP2 P08253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PPARG P37231 1/20 0.37
GRIN2B Q13224 1/20 0.36
LTA4H P09960 1/20 0.36
LAP3 P28838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4493455 0.85 NPC1 (0.39) CTSAALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL4498395 0.84 L3MBTL1 (0.41) CTSASMN1; SMN2MEN1KMT2A
SCHEMBL4487410 0.84 CTSA (0.42) CTSANPC1RAB9AFFAR1MMP2
SCHEMBL4506759 0.82 FFAR1 (0.43) CTSANPC1RAB9AFFAR1MEN1
SCHEMBL4499435 0.81 FFAR1 (0.39) NPC1RAB9AFFAR1SMN1; SMN2MEN1
SCHEMBL4498439 0.79 CTSA (0.51) CTSAALOX5NPC1RAB9AFFAR1
SCHEMBL4499232 0.79 ALOX5 (0.38) CTSAALOX5NPC1RAB9AFFAR1
SCHEMBL4492485 0.79 PTPRC (0.45) CTSAALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL4492518 0.78 CTSA (0.44) CTSAALOX5NPC1RAB9AFFAR1
SCHEMBL4499116 0.78 CTSA (0.47) CTSAALOX5FFAR1MMP2

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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
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 1423/4885ALOX5 336/4885NPC1 2050/4885

“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.