SCHEMBL1833765

SCHEMBL1833765

CCc1cc(Cl)cc(OC)c1C(=C=O)C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTGS2 P35354 1/20 0.32
PAK1 Q13153 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL1821701 0.74 ALDH1A1 (0.36) HPGDKDM4EERN1ALDH1A1LMNA
SCHEMBL16485238 0.73 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL11519119 0.70 ERN1 (0.47) HPGDKDM4EERN1ALDH1A1LMNA
SCHEMBL9883885 0.70 KDM4E (0.42) HPGDKDM4EALDH1A1LMNAGAA
SCHEMBL12658340 0.70 KDM4E (0.39) HPGDKDM4EERN1ALDH1A1LMNA
SCHEMBL13888758 0.70 ERN1 (0.56) KDM4EERN1ALDH1A1LMNAGAA
SCHEMBL12487519 0.68 PTGS2 (0.50) HPGDKDM4EERN1ALDH1A1LMNA
SCHEMBL23327143 0.67 MAPK1 (0.53) HPGDKDM4EERN1ALDH1A1LMNA
SCHEMBL31414474 0.67 CA12 (0.57) HPGDKDM4EERN1ALDH1A1CNR2
SCHEMBL510312 0.67 KDM4E (0.46) HPGDKDM4EERN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
EP-1606254-A1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080962-A1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-23 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 (2 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 HPGD 1458/4885KDM4E 2/4885ERN1 2587/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX HPGD 1294/4885KDM4E 2/4885ERN1 2748/4885

“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.