SCHEMBL1152535

SCHEMBL1152535

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
ERN1 O75460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 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
SCHEMBL5570549 0.86 KDM4E (0.41) ALDH1A1GAALMNAKDM4ECNR2
SCHEMBL12702938 0.78 ERN1 (0.42) ALDH1A1GAALMNAKDM4ECNR2
SCHEMBL12658255 0.74 ALDH1A1 (0.44) ALDH1A1GAALMNAKDM4EMEN1
SCHEMBL6807015 0.74 TAS1R3 (0.40) ALDH1A1TAS1R3TAS1R1KDM4ESMN1; SMN2
SCHEMBL1814307 0.73 ALDH1A1 (0.42) ALDH1A1GAALMNATAS1R3TAS1R1
SCHEMBL510312 0.72 KDM4E (0.46) ALDH1A1GAALMNAKDM4EMEN1
SCHEMBL12658340 0.72 KDM4E (0.39) ALDH1A1GAALMNAKDM4ECNR2
SCHEMBL16554097 0.72 ERN1 (0.38) ALDH1A1GAATAS1R3TAS1R1MEN1
SCHEMBL13888758 0.72 ERN1 (0.56) ALDH1A1GAALMNAKDM4EERN1
SCHEMBL27515050 0.70 LOXL2 (0.41) ALDH1A1GAAMEN1KMT2A

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 11 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
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-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-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 ALDH1A1 2306/4885GAA 1055/4885LMNA 4052/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX ALDH1A1 2227/4885GAA 1079/4885LMNA 4209/4885

“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.