SCHEMBL6727345

SCHEMBL6727345

Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 1/20 0.31
TFPI2 P48307 1/20 0.31
DUSP3 P51452 1/20 0.31
ALDH2 P05091 1/20 0.31
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL18874119 1.00 L3MBTL1 (0.39) L3MBTL1MAOAMAOBALDH1A1LMNA
SCHEMBL10257452 0.84 L3MBTL1 (0.35) L3MBTL1LMNATFPI2
SCHEMBL10258277 0.84 L3MBTL1 (0.44) L3MBTL1MAOAMAOBALDH1A1LMNA
SCHEMBL10187541 0.82 L3MBTL1 (0.34) L3MBTL1LMNATFPI2
SCHEMBL13261980 0.82 L3MBTL1 (0.34) L3MBTL1LMNATFPI2
SCHEMBL6727555 0.82 L3MBTL1 (0.35) L3MBTL1MAOAMAOBALDH1A1LMNA
SCHEMBL18874243 0.82 L3MBTL1 (0.35) L3MBTL1MAOAMAOBALDH1A1LMNA
SCHEMBL430165 0.81 POLB (0.35) L3MBTL1MAOAMAOBALDH1A1CNR1
SCHEMBL10257698 0.80 KDM4E (0.33) L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL18873885 0.79 L3MBTL1 (0.33) L3MBTL1ALDH1A1LMNACNR1CNR2

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 10 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

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 2634/4885MAOA 2806/4885MAOB 2416/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885MAOA 2359/4885MAOB 2064/4885

“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.