SCHEMBL185270

SCHEMBL185270

CC/C(C(=O)O)=C1/C[C@H](c2ccc(OC)c(OC3CCCC3)c2)CN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 9/20 0.64
PDE4C Q08493 9/20 0.64
PDE4D Q08499 9/20 0.64
CYP3A4 P08684 2/20 0.64
VEGFA P15692 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
CREBBP Q92793 1/20 0.64
KDM4E B2RXH2 1/20 0.64
PDE5A O76074 1/20 0.64
TNF P01375 1/20 0.64
MAPK1 P28482 1/20 0.64
BLM P54132 1/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64

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
SCHEMBL3632907 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185271 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL525130 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL31396386 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL31396436 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185272 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185567 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185568 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL5190103 0.92 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL4373922 0.78 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305329-B2 6.ALPHA.,9.ALPHA.-DIFLUORO-17.ALPHA.-(2-FURANYLCARBOXYL)OXY-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROST-1,4-DIENE-17-CARBOTHIOIC ACID S-FLUOROMETHYL ESTER AS AN ANTI-INFLAMMATORY AGENT GLAXO GROUP LTD (GB) 2015-03-18 EP claimed
EP-2598145-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2013-06-05 EP claimed
US-20120196875-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US claimed
WO-2012013567-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 WO claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
US-20080317833-A1 Novel Anti-Inflammatory Androstane Derivatives FISKARS OYJ ABP (FI) 2008-12-25 US claimed
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PIEPER MICHAEL P 2008-11-27 US claimed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP claimed
EP-1898894-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP claimed
EP-1893203-A2 MEDICAMENT CONTAINING A BETAMIMETIC IN CONJUNCTION WITH AN ANTICHOLINERGIC AND A PDE IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP claimed
US-7101866-B2 6,9-Difluoro-17 alpha -((2-furanylcarbonyl)oxy)-11 beta -hydroxy-16 alpha -methyl-3-oxo-androsta-1,4-diene-17 beta -carbothioic acid S-fluoromethyl ester; antiinflammatory agents for the treatment of allergic conditions GLAXO GROUP LIMITED (GB) 2006-09-05 US claimed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP claimed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US claimed
EP-1616567-A1 Medicaments for inhalation comprising PDE IV inhibitors and glycopyrrolate salts Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2006-01-18 EP claimed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US claimed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE12, PDE3A, PDE3B PDE4B 5/4885PDE4A 6/4885PDE4C 11/4885
US-20080317833-A1 Novel Anti-Inflammatory Androstane Derivatives NR5A1, HSD3B1, HSD3B2 PDE4B 2860/4885PDE4A 2431/4885PDE4C 3318/4885
US-20120196875-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES PDE4B, PDE4A, PDE12 PDE4B 1/4885PDE4A 2/4885PDE4C 6/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 PDE4B 21/4885PDE4A 32/4885PDE4C 89/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B PDE4B 354/4885PDE4A 626/4885PDE4C 923/4885
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PDE3A, PDE3B, PDE12 PDE4B 7/4885PDE4A 5/4885PDE4C 10/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 PDE4B 2/4885PDE4A 6/4885PDE4C 19/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 PDE4B 21/4885PDE4A 32/4885PDE4C 89/4885

“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.