SCHEMBL4497712

SCHEMBL4497712

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CTSA P10619 7/20 0.39
SLC6A9 P48067 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
RBBP9 O75884 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.32

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
SCHEMBL4494328 0.87 TRPM8 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1CTSA
SCHEMBL4489781 0.87 NPC1 (0.43) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL4495124 0.87 LMNA (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1CTSA
SCHEMBL4506051 0.86 CTSA (0.37) RAB9ANPC1HPGDTP53ALOX15
SCHEMBL4493455 0.85 NPC1 (0.39) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL4495881 0.84 CTSA (0.40) CTSAMAPT
SCHEMBL4481499 0.84 CTSA (0.40) CTSASLC6A9
SCHEMBL4493907 0.83 CHRNA3 (0.37) CTSA
SCHEMBL4490654 0.83 ELANE (0.50) RAB9ANPC1KMT2AMEN1HSD17B10
SCHEMBL4487757 0.81 MAPT (0.38) RAB9ANPC1CTSACYP1A2CYP2C19

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 RAB9A 2421/4885NPC1 2050/4885HPGD 1586/4885

“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.