SCHEMBL128167

SCHEMBL128167

COc1ccc(C(C)=O)cc1OC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.70
PDE4D Q08499 10/20 0.70
MAPK14 Q16539 1/20 0.70
PDE4A P27815 9/20 0.67
PDE4C Q08493 9/20 0.67
PDE5A O76074 1/20 0.62
PDE1A P54750 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE1C Q14123 1/20 0.62
POLB P06746 1/20 0.61

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
SCHEMBL7176867 0.97 PDE4B (0.66) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7384113 0.94 PDE4B (0.62) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL14003536 0.94 PDE4B (0.61) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL27472680 0.89 PDE4D (0.68) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL8885266 0.89 PDE4B (0.81) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL30009845 0.88 PDE4B (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL4728938 0.88 PDE4B (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL1028427 0.88 PDE4B (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL71331 0.87 PDE4D (0.65) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL5309884 0.87 PDE4D (0.67) PDE4BPDE4DMAPK14PDE4APDE4C

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289557-B1 CANCER TREATMENT COMPOSITION CONTAINING AN ANTI-NEOPLASTIC AGENT AND A PDE4 INHIBITOR GLAXO GROUP LTD (GB) 2006-07-12 EP claimed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US claimed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110112079-A1 PHOSPHODIESTERASE INHIBITORS THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-05-12 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2231669-A1 PHOSPHODIESTERASE INHIBITORS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2010-09-29 EP disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
WO-2009089027-A1 PHOSPHODIESTERASE INHIBITORS GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICE, NATIONAL INSTITUTES OF HEALTH (US) 2009-07-16 WO disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-0640065-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1995-03-01 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
WO-1994020446-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO disclosed
EP-0470805-B1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1994-09-07 EP disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
CN-1058771-A Method for making of oxime carbamate and oxime carbonate ester and uses thereof AMERICAN HOME PROD (US) 1992-02-19 CN disclosed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP 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 (3 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-20110112079-A1 PHOSPHODIESTERASE INHIBITORS PDE5A, PDE3B, PDE3A PDE4B 7/4885PDE4D 9/4885MAPK14 3165/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI PDE4B 1700/4885PDE4D 1519/4885MAPK14 1326/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4B 3261/4885PDE4D 3827/4885MAPK14 2900/4885

“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.