SCHEMBL4485295

SCHEMBL4485295

C=C(C(=O)OCCc1cccc(Cl)c1)C(O)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.46
CNR1 P21554 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4499116 0.90 CTSA (0.47) CTSACNR1CNR2LMNAMAPT
SCHEMBL4496317 0.87 FFAR2 (0.43) CTSANPC1RAB9AKMT2AMEN1
SCHEMBL4494152 0.81 CTSA (0.38) CTSACNR2
SCHEMBL4497670 0.81 CASP1 (0.44) CTSAKMT2AMEN1MAPT
SCHEMBL4500155 0.80 CTSA (0.44) CTSANPC1RAB9AKMT2ACNR2
SCHEMBL4492735 0.79 CASP1 (0.43) CTSAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4498395 0.79 L3MBTL1 (0.41) CTSAKMT2AMEN1ALDH1A1LMNA
SCHEMBL4485293 0.77 CTSA (0.47) CTSACNR2CYP1A2CYP2D6CYP2C19
SCHEMBL3109439 0.77 NPC1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4489986 0.77 CTSA (0.38) CTSAKMT2AMEN1ALDH1A1CYP1A2

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 1423/4885CNR1 3227/4885NPC1 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.