SCHEMBL4500155

SCHEMBL4500155

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.44
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPA1 O75762 1/20 0.36
BCHE P06276 1/20 0.36
ALOX5 P09917 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL4495124 0.85 LMNA (0.42) CTSAMEN1NPC1ALDH1A1LMNA
SCHEMBL4487757 0.85 MAPT (0.38) CTSANPC1LMNAMAPTRAB9A
SCHEMBL4487148 0.84 CTSA (0.42) CTSAMEN1NPC1ALDH1A1LMNA
SCHEMBL4500400 0.84 MEN1 (0.44) CTSAMEN1NPC1RAB9AKMT2A
SCHEMBL4487788 0.83 STS (0.41) CTSANPC1RAB9AALOX5
SCHEMBL4499652 0.83 NPC1 (0.49) CTSANPC1ALDH1A1LMNAMAPT
SCHEMBL4495117 0.82 CTSA (0.40) CTSAMEN1NPC1ALDH1A1LMNA
SCHEMBL4506051 0.82 CTSA (0.37) CTSANPC1RAB9A
SCHEMBL4493907 0.82 CHRNA3 (0.37) CTSA
SCHEMBL4493455 0.81 NPC1 (0.39) CTSANPC1ALDH1A1RAB9AALOX5

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-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 1423/4885MEN1 722/4885NPC1 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.