SCHEMBL2325848

SCHEMBL2325848

Cc1[c]cc(OCC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.44
PARP10 Q53GL7 4/20 0.44
PARP2 Q9UGN5 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL29024848 0.76 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL2970309 0.75 NQO1 (0.54) PARP10TDP1
SCHEMBL8930160 0.75 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL2665020 0.75 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
Ammonia Solution, Strong SCHEMBL28413630 0.73 PARP15 (0.53) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL5495552 0.72 MAOA (0.49) PARP15PARP10PARP2MAOAMAOB
SCHEMBL21708167 0.72 FYN (0.32)
SCHEMBL16467776 0.72 HRH3 (0.34) PARP10MAOAMAOB
SCHEMBL16838742 0.71 TDP1 (0.73) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL13135282 0.71 HPGD (0.57) PARP15PARP10PARP2TDP1SIGMAR1

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
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PARP15 2041/4885PARP10 1972/4885PARP2 2022/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PARP15 2041/4885PARP10 1972/4885PARP2 2022/4885

“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.