SCHEMBL3880895

SCHEMBL3880895

COc1cc2cc(COC(C)=O)c(COC(C)=O)c(-c3cc[n+]([O-])cc3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.46
PDE3A Q14432 16/20 0.46
PDE4A P27815 13/20 0.46
PDE4B Q07343 13/20 0.46
PDE4C Q08493 13/20 0.46
PDE4D Q08499 13/20 0.46
PDE5A O76074 11/20 0.44
PDE1A P54750 10/20 0.44
PDE1B Q01064 10/20 0.44
PDE1C Q14123 10/20 0.44
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7747490 0.89 PDE4A (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7288680 0.88 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286296 0.84 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276796 0.79 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276791 0.79 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286791 0.79 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7279466 0.79 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7285560 0.78 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278945 0.78 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7279090 0.76 HSD17B10 (0.41) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550475-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550464-B2 Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP disclosed
US-20070010521-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-11 US disclosed
US-20070004739-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-20070004740-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US disclosed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US disclosed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 EP disclosed
US-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP disclosed
EP-0557016-B1 Naphthalene derivatives, processes for preparing the same, and synthetic intermediates therefor TANABE SEIYAKU CO (JP) 1996-06-19 EP disclosed
US-5342941-A Bronchodilating agents TANABE SEIYAKU CO., LTD. (JP) 1994-08-30 US disclosed
EP-0557016-A1 Naphthalene derivatives, processes for preparing the same, and synthetic intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1993-08-25 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 (4 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-20070004740-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE3B 3/4885PDE3A 5/4885PDE4A 1/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE3B 3/4885PDE3A 5/4885PDE4A 1/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE3B 3/4885PDE3A 5/4885PDE4A 1/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B PDE3B 3/4885PDE3A 4/4885PDE4A 1/4885

“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.