SCHEMBL4490654

SCHEMBL4490654

C=C(C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)C(O)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.50
SCD O00767 1/20 0.43
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.37
STS P08842 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ABCB1 P08183 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 0.90 STS (0.41) ELANESCDRAB9ANPC1STS
SCHEMBL4493455 0.88 NPC1 (0.39) ELANERAB9ANPC1
SCHEMBL4494328 0.83 TRPM8 (0.39) RAB9AHSD17B10NPC1MEN1KMT2A
SCHEMBL4489781 0.83 NPC1 (0.43) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL4497712 0.83 RAB9A (0.41) RAB9AHSD17B10NPC1MEN1KMT2A
SCHEMBL4495124 0.83 LMNA (0.42) RAB9AHSD17B10NPC1GAAMEN1
SCHEMBL4500400 0.80 MEN1 (0.44) RAB9ANPC1MEN1KMT2AABCB1
SCHEMBL4506051 0.78 CTSA (0.37) RAB9ANPC1
SCHEMBL4487757 0.78 MAPT (0.38) RAB9ANPC1POLB
SCHEMBL4501220 0.77 CTSA (0.40) MEN1KMT2A

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-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 ELANE 2447/4885SCD 538/4885RAB9A 2421/4885

“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.