SCHEMBL4445968

SCHEMBL4445968

Cc1cc(Cl)c(CC(=O)OCC2CC2)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.39
PHGDH O43175 1/20 0.38
CNR2 P34972 9/20 0.38
SCN9A Q15858 4/20 0.38
P2RX3 P56373 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL1814275 0.90 LMNA (0.40) KMOCNR2SCN9A
SCHEMBL1814155 0.87 KMO (0.43) KMOCNR2SCN9AP2RX3FFAR4
SCHEMBL1813965 0.78 L3MBTL1 (0.41)
SCHEMBL1814687 0.75 ALDH1A1 (0.41)
SCHEMBL20201734 0.74 KMO (0.39) KMOCNR2SCN9A
SCHEMBL1810345 0.74 PPARG (0.39) KMOPHGDH
SCHEMBL745570 0.71 MAPT (0.49) KMOP2RX3
SCHEMBL18910063 0.69 KMO (0.46) KMOP2RX3FFAR4
SCHEMBL3656867 0.69 HSD11B1 (0.39) CNR2P2RX3
SCHEMBL3655824 0.69 P2RX3 (0.39) KMOCNR2P2RX3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732930-B1 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2012-05-02 EP disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E KMO 11/4885PHGDH 476/4885CNR2 771/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E KMO 11/4885PHGDH 476/4885CNR2 771/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 KMO 8/4885PHGDH 445/4885CNR2 780/4885

“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.