SCHEMBL4803475

SCHEMBL4803475

COc1ccc2c(CC(=O)O)cncc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
HSD17B10 Q99714 2/20 0.54
AKR1C2 P52895 2/20 0.54
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
KDM4E B2RXH2 3/20 0.51
LCK P06239 1/20 0.51
PDE10A Q9Y233 3/20 0.49
EGFR P00533 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4816050 0.89 CYP11B1 (0.55) CYP11B1CYP11B2HSD17B10AKR1C2PTGS1
SCHEMBL12054801 0.83 PDE10A (0.55) CYP11B1CYP11B2PDE10AEGFRCYP1A2
SCHEMBL14564419 0.81 MAPT (0.50) KDM4EALDH1A1
SCHEMBL4804103 0.79 PDE10A (0.53) PDE10A
SCHEMBL7925457 0.79 MTNR1A (0.61) HSD17B10AKR1C2PTGS1AKR1C3KDM4E
SCHEMBL31429834 0.79 MTNR1A (0.61) HSD17B10AKR1C2PTGS1AKR1C3KDM4E
SCHEMBL2439499 0.78 KDM4E (0.52) CYP11B1CYP11B2HSD17B10KDM4ECYP1A2
SCHEMBL4813692 0.76 HSD17B10 (0.52) CYP11B1CYP11B2HSD17B10AKR1C2PTGS1
SCHEMBL11466749 0.75 PTGS1 (0.59) CYP11B1CYP11B2HSD17B10AKR1C2PTGS1
SCHEMBL6939512 0.75 PRKCE (0.38) CYP11B1CYP11B2HSD17B10KDM4EPDE10A

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 12 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-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2006-05-18 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 (6 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 CYP11B1 89/4885CYP11B2 156/4885HSD17B10 62/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1027/4885CYP11B2 876/4885HSD17B10 459/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1025/4885CYP11B2 904/4885HSD17B10 423/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1266/4885CYP11B2 968/4885HSD17B10 444/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1025/4885CYP11B2 904/4885HSD17B10 423/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1516/4885CYP11B2 1095/4885HSD17B10 682/4885

“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.