SCHEMBL4500400

SCHEMBL4500400

C=C(C(=O)Oc1cccc(C(C)=O)c1)C(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 4/20 0.39
MAOB P27338 7/20 0.38
ABCB1 P08183 2/20 0.36
MAOA P21397 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL4487788 0.88 STS (0.41) NPC1RAB9AHPGDSMN1; SMN2CTSA
SCHEMBL4500155 0.84 CTSA (0.44) MEN1KMT2ANPC1RAB9ACTSA
SCHEMBL4499652 0.81 NPC1 (0.49) NPC1RAB9ACTSA
SCHEMBL4490654 0.80 ELANE (0.50) MEN1KMT2ANPC1RAB9AABCB1
SCHEMBL4493455 0.79 NPC1 (0.39) NPC1RAB9AHPGDSMN1; SMN2CTSA
SCHEMBL4494328 0.79 TRPM8 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4489781 0.79 NPC1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4487757 0.78 MAPT (0.38) NPC1RAB9ACTSA
SCHEMBL4506051 0.78 CTSA (0.37) NPC1RAB9AHPGDSMN1; SMN2CTSA
SCHEMBL4508505 0.78 HTT (0.41) MEN1KMT2ASMN1; SMN2CTSAABCB1

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 MEN1 722/4885KMT2A 1238/4885NPC1 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.