SCHEMBL2432041

SCHEMBL2432041

COC(=O)C(C(=O)OC)c1c(C)cc(C2CC2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.37
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.33
SSTR4 P31391 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
ITGA5 P08648 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRND Q07001 2/20 0.32

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
SCHEMBL8794058 0.78 TAS1R3 (0.39) THRBTSHRRECQLKMT2ASMN1; SMN2
SCHEMBL6841189 0.75 MAPT (0.39) TSHRRECQLKMT2AMEN1LMNA
SCHEMBL3163620 0.75 TAS1R3 (0.34) SLC6A3TSHRRECQLKMT2ASMN1; SMN2
SCHEMBL27550566 0.71 KMT2A (0.44) TSHRKMT2ASMN1; SMN2MEN1
SCHEMBL15757000 0.70 TAS1R3 (0.36) THRBTSHRRECQLSMN1; SMN2
SCHEMBL15450057 0.70 HPGD (0.43) TSHRKMT2AMEN1LMNA
SCHEMBL16585783 0.70 TAS1R3 (0.31) TSHRRECQLKMT2ASMN1; SMN2
SCHEMBL6834732 0.69 HTT (0.42) TSHRKMT2AMEN1LMNA
SCHEMBL6841192 0.68 XDH (0.39) THRBKMT2ASMN1; SMN2MEN1
SCHEMBL4389273 0.67 CA12 (0.52) SLC6A3TSHRSMN1; SMN2LMNA

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-2186805-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 SLC6A3 2666/4885THRB 4677/4885TSHR 4142/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM SLC6A3 3006/4885THRB 4777/4885TSHR 4123/4885

“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.