SCHEMBL3768299

SCHEMBL3768299

CCO[C@H]1CCC[C@@](N)(C(=O)OC)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
ARG1 P05089 1/20 0.33
MMP1 P03956 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL3768302 1.00 EPHX1 (0.35) EPHX1ARG1MMP1NPSR1FDPS
SCHEMBL3768303 1.00 EPHX1 (0.35) EPHX1ARG1MMP1NPSR1FDPS
SCHEMBL22451945 0.88 EPHX1 (0.33) EPHX1ARG1NAAA
SCHEMBL13070457 0.87 EPHX2 (0.38) EPHX1NAAA
Hydrochloric Acid SCHEMBL22443128 0.87 EPHX1 (0.33) EPHX1ARG1NAAA
Hydrochloric Acid SCHEMBL3006665 0.86 EPHX2 (0.37) EPHX1NAAA
SCHEMBL18736608 0.85 OPRM1 (0.33) EPHX1ARG1
Hydrochloric Acid SCHEMBL21051760 0.84 OPRM1 (0.33) ARG1
SCHEMBL24488794 0.84 MGAM (0.31) EPHX1
SCHEMBL22945910 0.84 MGAM (0.31) EPHX1

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-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 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 (3 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-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E EPHX1 506/4885ARG1 3363/4885MMP1 1669/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E EPHX1 506/4885ARG1 3363/4885MMP1 1669/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E EPHX1 506/4885ARG1 3363/4885MMP1 1669/4885

“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.