SCHEMBL3082501

SCHEMBL3082501

[C]1=C(/C2=CCCCCC2)CCCCCC/1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.32
TYMP P19971 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSMB1 P20618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ELANE P08246 1/20 0.30
ACMSD Q8TDX5 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
SCHEMBL3796622 1.00 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL13858383 1.00 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL4796621 1.00 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL7402470 1.00 PSMB5 (0.32) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL6446235 0.98 PSMB5 (0.33) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL5960582 0.96
SCHEMBL5808874 0.94 ALDH1A1 (0.35) PSMB5TYMPTDP1PSMB1ALDH1A1
SCHEMBL4425323 0.94 TYMP (0.30) TYMP
SCHEMBL604265 0.87 TYMP (0.31) TYMP
SCHEMBL9815606 0.85

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2144879-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF Bayer CropScience AG (DE) 2010-01-20 EP disclosed
WO-2008131860-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1746880-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF Bayer CropScience GmbH (DE) 2007-01-31 EP disclosed
WO-2005112630-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF BAYER CROPSCIENCE GMBH (DE) 2005-12-01 WO disclosed
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED 2004-01-08 US 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 (1 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-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use CBR1, HCN1, SCN1A PSMB5 1990/4885TYMP 4849/4885TDP1 4502/4885

“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.