SCHEMBL6727686

SCHEMBL6727686

Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc(C)c1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KIF11 P52732 1/20 0.35
PTGER4 P35408 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PPARD Q03181 1/20 0.35
FASN P49327 1/20 0.35
NOTUM Q6P988 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 3/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL18873960 1.00 GRM2 (0.38) GRM2AURKATPX2KDM4EGAA
SCHEMBL6727666 0.85 CNR1 (0.39) GRM2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL6727919 0.83 L3MBTL1 (0.36) L3MBTL1
SCHEMBL18874115 0.83 L3MBTL1 (0.36) L3MBTL1
SCHEMBL6727399 0.82 L3MBTL1 (0.38) KDM4EL3MBTL1
SCHEMBL18873798 0.82 L3MBTL1 (0.38) KDM4EL3MBTL1
SCHEMBL6727392 0.81 L3MBTL1 (0.35) GRM2NOTUML3MBTL1MCHR1
SCHEMBL18873871 0.81 SLC6A2 (0.35) GRM2KDM4EGAAMAPTKIF11
SCHEMBL18874125 0.81 L3MBTL1 (0.35) GRM2NOTUML3MBTL1MCHR1
SCHEMBL6727333 0.80 L3MBTL1 (0.36) GRM2KDM4ECA12CA9L3MBTL1

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-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 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 GRM2 994/4885AURKA 718/4885TPX2 3905/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 GRM2 23/4885AURKA 3394/4885TPX2 3607/4885

“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.