SCHEMBL4496308

SCHEMBL4496308

C=C(C(=O)OCc1c(Cl)cccc1Cl)C(O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CASP1 P29466 1/20 0.43
SGMS2 Q8NHU3 2/20 0.43
GAA P10253 1/20 0.41
RECQL P46063 2/20 0.41
KCNA5 P22460 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3109204 0.83 MEN1 (0.49) ALDH1A1CASP1LMNAKMT2ANPSR1
SCHEMBL3103797 0.81 KCNA5 (0.40) ALDH1A1KDM4ECASP1RECQLKCNA5
SCHEMBL5954056 0.81 CASP1 (0.44) ALDH1A1KDM4ECASP1SGMS2KCNA5
SCHEMBL4507283 0.80 MEN1 (0.42) ALDH1A1CASP1LMNAKMT2AP2RX7
SCHEMBL457177 0.80 CASP1 (0.52) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL3104167 0.80 SLC6A2 (0.45) ALDH1A1KDM4ECASP1SGMS2KCNA5
SCHEMBL13817480 0.79 CYP3A4 (0.42) ALDH1A1SGMS2LMNASMN1; SMN2L3MBTL1
SCHEMBL3103624 0.79 SLC6A2 (0.43) CASP1SGMS2KCNA5LMNASMN1; SMN2
SCHEMBL3114820 0.79 HTT (0.44) ALDH1A1GAALMNASMN1; SMN2L3MBTL1
SCHEMBL3101528 0.79 CNR2 (0.43) ALDH1A1LMNAKMT2ATSHRMEN1

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 ALDH1A1 62/4885KDM4E 677/4885CASP1 443/4885

“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.