SCHEMBL4495117

SCHEMBL4495117

C=C(C(=O)Oc1ccc(Cl)cc1Cl)C(O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.40
KCNMA1 Q12791 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
FBP1 P09467 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4498776 0.88 CTSA (0.39) CTSAKCNMA1
SCHEMBL4501220 0.85 CTSA (0.40) CTSAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4495124 0.84 LMNA (0.42) CTSAMAPTRAB9AKMT2AMEN1
SCHEMBL4487757 0.83 MAPT (0.38) CTSAMAPTRAB9AFBP1KDM4E
SCHEMBL4487148 0.83 CTSA (0.42) CTSAMAPTRAB9AKMT2AMEN1
SCHEMBL4500155 0.82 CTSA (0.44) CTSAMAPTRAB9AKMT2AMEN1
SCHEMBL4489986 0.82 CTSA (0.38) CTSATDP1KMT2AMEN1ALDH1A1
SCHEMBL4502830 0.81 CTSA (0.43) CTSA
SCHEMBL4498395 0.79 L3MBTL1 (0.41) CTSAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4481499 0.79 CTSA (0.40) CTSA

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 1423/4885KCNMA1 1581/4885TDP1 2148/4885

“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.