SCHEMBL4811545

SCHEMBL4811545

COc1cc2c(-c3cc(OC(C)C)cc(OC(C)C)c3)ncc(CC(=O)O)c2cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4D Q08499 1/20 0.46
DPP4 P27487 3/20 0.39
GFPT1 Q06210 1/20 0.39
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC6 Q9UBN7 2/20 0.34
P2RX3 P56373 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
GCK P35557 1/20 0.33
FGFR4 P22455 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL4813666 0.98 PDE4A (0.47) PDE4APDE4DDPP4GFPT1HSD17B10
SCHEMBL6732044 0.96 PDE4A (0.41) PDE4APDE4DDPP4GFPT1HSD17B10
SCHEMBL4811167 0.87 HSD17B10 (0.46) DPP4HSD17B10PDE10AHDAC6PTGDR2
SCHEMBL4808734 0.83 DPP4 (0.42) DPP4GFPT1HSD17B10PDE10AHDAC6
SCHEMBL4809596 0.79 DPP4 (0.41) DPP4GFPT1HSD17B10PDE10AHDAC6
SCHEMBL4812496 0.76 DPP4 (0.46) DPP4GFPT1HSD17B10PDE10AHDAC6
SCHEMBL14860014 0.75 GFPT1 (0.54) DPP4GFPT1PDE10APTGDR2
SCHEMBL4811967 0.74 DPP4 (0.63) DPP4PDE10AMAPT
SCHEMBL1366610 0.74 GFPT1 (0.67) GFPT1PTGDR2
SCHEMBL14859899 0.74 DPP4 (0.43) DPP4GFPT1HSD17B10PDE10A

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-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 US disclosed
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP 2006-08-03 US disclosed
US-7019136-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2006-03-28 US disclosed
US-6919337-B2 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2005-07-19 US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 US disclosed
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 US disclosed
EP-1268480-B1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2003-11-05 EP disclosed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US disclosed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 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 (5 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR PDE4A 140/4885PDE4D 356/4885DPP4 438/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PDE4A 10/4885PDE4D 23/4885DPP4 1444/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PDE4A 14/4885PDE4D 25/4885DPP4 1828/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PDE4A 10/4885PDE4D 23/4885DPP4 1444/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A PDE4A 13/4885PDE4D 24/4885DPP4 1237/4885

“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.