SCHEMBL2431064

SCHEMBL2431064

CCOC(=O)C1CCCC1C(=O)Cc1c(C)cc(C2CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 6/20 0.34
CA12 O43570 5/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TLR4 O00206 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8708085 0.88 POLB (0.40) MAPTPKMCA1CA2CA9
SCHEMBL3174224 0.86 TAS1R3 (0.35) MAPTPKMCA1CA2CA9
SCHEMBL8022828 0.85 TP53 (0.39) TAS1R3TAS1R1TP53CYP3A4KDM4E
SCHEMBL8703906 0.82 POLB (0.39) MAPTPKMCA1CA2CA9
SCHEMBL1722174 0.80 ALDH1A1 (0.39) MAPTTAS1R3TAS1R1TP53CYP3A4
SCHEMBL14382020 0.79 ATM (0.42) MAPTPKMTAS1R3TAS1R1ALDH1A1
SCHEMBL2687043 0.79 TAS1R3 (0.36) CA1CA2CA9CA12TAS1R3
SCHEMBL3765069 0.78 ALDH1A1 (0.34) MAPTTAS1R3TAS1R1TLR4TP53
SCHEMBL1476733 0.78 ALDH1A1 (0.36) CA1CA2CA9CA12TAS1R3
SCHEMBL8704584 0.76 POLB (0.38) TAS1R3TAS1R1NPSR1ALDH1A1GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
EP-2186791-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2186791-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2186805-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2184275-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-12 EP disclosed
EP-2184275-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-12 EP disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
EP-1989162-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2008-11-12 EP disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 WO disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 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-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PIKFYVE MAPT 4068/4885PKM 4/4885CA1 1054/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM MAPT 4448/4885PKM 3/4885CA1 1167/4885

“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.