SCHEMBL4493455

SCHEMBL4493455

C=C(C(=O)Oc1ccc(Oc2ccccc2)cc1)C(O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CTSA P10619 8/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPY5R Q15761 1/20 0.35
ALOX5 P09917 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4490654 0.88 ELANE (0.50) NPC1RAB9AELANE
SCHEMBL4496418 0.85 CTSA (0.42) NPC1RAB9ACTSASMN1; SMN2ALOX5
SCHEMBL4489781 0.85 NPC1 (0.43) NPC1RAB9ACTSATP53SMN1; SMN2
SCHEMBL4497712 0.85 RAB9A (0.41) NPC1RAB9ACTSATP53HPGD
SCHEMBL4495124 0.85 LMNA (0.42) NPC1RAB9ACTSASMN1; SMN2ALDH1A1
SCHEMBL4487788 0.83 STS (0.41) NPC1RAB9ACTSAHPGDSMN1; SMN2
SCHEMBL4500155 0.81 CTSA (0.44) NPC1RAB9ACTSAALOX5ALDH1A1
SCHEMBL4506051 0.80 CTSA (0.37) NPC1RAB9ACTSATP53HPGD
SCHEMBL4487757 0.80 MAPT (0.38) NPC1RAB9ACTSA
SCHEMBL4500400 0.79 MEN1 (0.44) NPC1RAB9ACTSAHPGDSMN1; SMN2

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 NPC1 2050/4885RAB9A 2421/4885CTSA 1423/4885

“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.