SCHEMBL6727412

SCHEMBL6727412

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXRB P28702 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KIF11 P52732 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
DHODH Q02127 1/20 0.32
IKBKB O14920 1/20 0.32
TP53 P04637 2/20 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
SCHEMBL18873871 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3L3MBTL1RXRB
SCHEMBL6727399 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1RAB9AKDM4ETP53
SCHEMBL18873798 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1RAB9AKDM4ETP53
SCHEMBL6727333 0.84 L3MBTL1 (0.36) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL18874115 0.84 L3MBTL1 (0.36) L3MBTL1LMNA
SCHEMBL6727919 0.84 L3MBTL1 (0.36) L3MBTL1LMNA
SCHEMBL18874255 0.84 L3MBTL1 (0.36) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL9110548 0.84 L3MBTL1 (0.43) L3MBTL1ALDH1A1RAB9AKDM4ETP53
SCHEMBL18873834 0.82 CNR1 (0.39) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL6727392 0.82 L3MBTL1 (0.35) L3MBTL1RXRBNPC1RAB9ATP53

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 SLC6A2 4780/4885SLC6A4 4771/4885SLC6A3 4518/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A2 2164/4885SLC6A4 1443/4885SLC6A3 862/4885

“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.