SCHEMBL4492485

SCHEMBL4492485

C=C(C(=O)OCc1ccc(Cl)c(Cl)c1)C(O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN1 P18031 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX5 P09917 2/20 0.38
CTSA P10619 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 4/20 0.38
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
CASP1 P29466 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 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
SCHEMBL4482931 0.90 CASP1 (0.39) PTPRCNPSR1PTPN1MEN1KMT2A
SCHEMBL13817470 0.89 IDO1 (0.42) PTPRCNPSR1PTPN1MEN1KMT2A
SCHEMBL4498395 0.87 L3MBTL1 (0.41) MEN1KMT2ACTSAMAPTCYP2C19
SCHEMBL13817479 0.86 TDP1 (0.34) MEN1KMT2ACTSANPC1RAB9A
SCHEMBL4499116 0.86 CTSA (0.47) ALOX5CTSAMAPTCYP2C19CYP2D6
SCHEMBL4494152 0.85 CTSA (0.38) CTSACASP1
SCHEMBL4499232 0.84 ALOX5 (0.38) MEN1KMT2AALOX5CTSANPC1
SCHEMBL13817544 0.84 ALOX5 (0.34) ALOX5CTSANPC1RAB9AALDH1A1
SCHEMBL4489986 0.83 CTSA (0.38) MEN1KMT2ACTSACYP2C19ALDH1A1
SCHEMBL4492735 0.83 CASP1 (0.43) NPSR1MEN1KMT2ACTSACYP2C19

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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
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 PTPRC 772/4885NPSR1 4036/4885PTPN1 711/4885

“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.