SCHEMBL7676785

SCHEMBL7676785

COC(=O)Cc1c(C)c(C)cc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 6/20 0.44
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL7674076 0.88 HSP90AB1 (0.44) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL12042064 0.82 CYP4F2 (0.45) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL13176152 0.81 HSP90AB1 (0.64) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL6589070 0.80 ALDH1A1 (0.41) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL769278 0.79 GAA (0.48) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL2924016 0.78 HSP90AB1 (0.60) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL13527344 0.76 ALDH1A1 (0.54) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL814001 0.76 HSP90AB1 (0.44) HSP90AB1KDM4EGAAHSD17B10CASP1
SCHEMBL1257801 0.76 KDM4E (0.44) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL1257799 0.76 PGK1 (0.39) KDM4ENPSR1SMN1; SMN2MAPT

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
CN-101851244-B Substituted phenyl keto enols as pesticides and herbicides BAYER AG 2013-08-21 CN disclosed
CN-101851244-A The phenyl keto-enol pesticide and the weedicide that replace BAYER AG 2010-10-06 CN disclosed
CN-101580465-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2009-11-18 CN disclosed
CN-101575312-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2009-11-11 CN disclosed
CN-1631879-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2005-06-29 CN disclosed
CN-1535956-A Substituted phenyl keto-enol pesticide and weedicide 2004-10-13 CN disclosed
US-6486343-B1 Substituted phenyl keto enols as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-6388123-B1 MITICIDE, INSECTICIDE FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6271180-B2 INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-20010004629-A1 Substituted phenyl keto enols as pesticides and herbicides LIEB VOLKER (DE) 2001-06-21 US disclosed
CN-1215390-A Substituted phenyl ketoenol pesticides and herbicides BAYER AG (DE) 1999-04-28 CN 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 (1 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-20010004629-A1 Substituted phenyl keto enols as pesticides and herbicides DDT, CYP4X1, CYP1B1 HSP90AB1 1478/4885KDM4E 685/4885GAA 462/4885

“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.