SCHEMBL6727919

SCHEMBL6727919

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KLKB1 P03952 5/20 0.35
HDAC3 O15379 8/20 0.34
HDAC1 Q13547 8/20 0.34
HDAC2 Q92769 8/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 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
SCHEMBL18874115 1.00 L3MBTL1 (0.36) L3MBTL1CNR1CNR2KLKB1HDAC3
SCHEMBL6727399 0.89 L3MBTL1 (0.38) L3MBTL1LMNA
SCHEMBL18873798 0.89 L3MBTL1 (0.38) L3MBTL1LMNA
SCHEMBL18874255 0.86 L3MBTL1 (0.36) L3MBTL1HDAC1HDAC2LMNA
SCHEMBL6727333 0.86 L3MBTL1 (0.36) L3MBTL1HDAC1HDAC2LMNA
SCHEMBL6727349 0.86 L3MBTL1 (0.43) L3MBTL1CNR1CNR2TNKS2PDE3B
SCHEMBL9110548 0.86 L3MBTL1 (0.43) L3MBTL1CNR1CNR2TNKS2PDE3B
SCHEMBL18874380 0.86 L3MBTL1 (0.43) L3MBTL1CNR1CNR2TNKS2PDE3B
SCHEMBL6727504 0.86 KIF11 (0.40) L3MBTL1TNKS2
SCHEMBL6727412 0.84 SLC6A2 (0.35) L3MBTL1LMNA

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 L3MBTL1 2634/4885CNR1 413/4885CNR2 956/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885CNR1 935/4885CNR2 1209/4885

“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.