SCHEMBL4487148

SCHEMBL4487148

C=C(C(=O)Oc1c(Cl)cccc1Cl)C(O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.42
CASP1 P29466 1/20 0.37
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4502830 0.88 CTSA (0.43) CTSACASP1
SCHEMBL4501220 0.88 CTSA (0.40) CTSACASP1KMT2AMEN1ALDH1A1
SCHEMBL4501213 0.85 CTSA (0.42) CTSAP2RX7KMT2A
SCHEMBL4500155 0.84 CTSA (0.44) CTSAKMT2AMEN1NPC1ALDH1A1
SCHEMBL4495124 0.84 LMNA (0.42) CTSAKMT2AMEN1NPC1ALDH1A1
SCHEMBL4495117 0.83 CTSA (0.40) CTSAKMT2AMEN1NPC1ALDH1A1
SCHEMBL4492735 0.83 CASP1 (0.43) CTSACASP1KMT2AMEN1ALDH1A1
SCHEMBL4487757 0.81 MAPT (0.38) CTSANPC1LMNAMAPTRAB9A
SCHEMBL4498480 0.79 CASP1 (0.40) CTSACASP1KMT2AMEN1
SCHEMBL4495946 0.79 CASP1 (0.44) CTSACASP1KMT2AMEN1ALDH1A1

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 CTSA 1423/4885CASP1 443/4885P2RX7 2008/4885

“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.