SCHEMBL4495564

SCHEMBL4495564

C=C(Cc1ccccn1)C(=O)OO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PARP10 Q53GL7 1/20 0.44
PTPRA P18433 1/20 0.42
POLB P06746 1/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8567705 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL4980469 0.83 CTDSP1 (0.48) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL9284113 0.80 CYP3A4 (0.44) RAB9ANPC1SMN1; SMN2PARP10PTPRA
SCHEMBL6839138 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PARP10PTPRA
SCHEMBL2142240 0.74 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL6013805 0.74 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PARP10PTPRA
SCHEMBL375765 0.73 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PARP10PTPRA
SCHEMBL6447477 0.72 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL20709127 0.72 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL21298 0.72 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB

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 3 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-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 2050/4885SMN1; SMN2 1516/4885

“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.