SCHEMBL6727666

SCHEMBL6727666

COc1ccc(-c2cc(C)c(C3C(=O)[C@@H]4[C@H](C3=O)[C@H]3CC[C@@H]4O3)c(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
EGFR P00533 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
DYRK1A Q13627 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA1 P00915 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
SCHEMBL18873834 1.00 CNR1 (0.39) CNR1CNR2ALDH1A1NPC1RAB9A
SCHEMBL18873798 0.87 L3MBTL1 (0.38) ALDH1A1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL6727399 0.87 L3MBTL1 (0.38) ALDH1A1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL18873960 0.85 GRM2 (0.38) MAPTMAPK1L3MBTL1GRM2KDM4E
SCHEMBL6727686 0.85 GRM2 (0.38) MAPTMAPK1L3MBTL1GRM2KDM4E
SCHEMBL18874115 0.84 L3MBTL1 (0.36) CNR1CNR2L3MBTL1PTGS1
SCHEMBL18874255 0.84 L3MBTL1 (0.36) ALDH1A1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL6727919 0.84 L3MBTL1 (0.36) CNR1CNR2L3MBTL1PTGS1
SCHEMBL9110548 0.84 L3MBTL1 (0.43) CNR1CNR2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6727412 0.82 SLC6A2 (0.35) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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 CNR1 413/4885CNR2 956/4885ALDH1A1 164/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CNR1 935/4885CNR2 1209/4885ALDH1A1 14/4885

“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.