SCHEMBL6727447

SCHEMBL6727447

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
ACACA Q13085 4/20 0.36
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MST1R Q04912 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL18873819 1.00 ACACB (0.36) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL18873828 0.90 S1PR1 (0.33) ACACBACACA
SCHEMBL6727407 0.90 S1PR1 (0.33) ACACBACACA
SCHEMBL6727308 0.89 EDNRB (0.38) EDNRBEDNRA
SCHEMBL16776769 0.89 EDNRB (0.38) EDNRBEDNRA
SCHEMBL18874235 0.89 EDNRB (0.38) EDNRBEDNRA
SCHEMBL18874383 0.89 EDNRB (0.38) EDNRBEDNRA
SCHEMBL18873995 0.89 EDNRB (0.38) EDNRBEDNRA
SCHEMBL6727380 0.89 ABL1 (0.35) ACACBACACA
SCHEMBL18874385 0.88 KLKB1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
EP-2427059-B1 CYCLOPENTANEDIONE COMPOUNDS AND THEIR USE AS INSECTICIDES AND ACARICIDES BAYER IP GMBH (DE) 2015-06-03 EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2010127797-A2 CYCLOPENTANEDIONE COMPOUNDS AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides CYP51A1, CYP1B1, CBR3 ACACB 246/4885ACACA 122/4885EDNRB 2010/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ACACB 889/4885ACACA 1264/4885EDNRB 4122/4885

“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.