SCHEMBL4813692

SCHEMBL4813692

COc1ccc2c(C)ncc(CC(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 2/20 0.52
LCK P06239 1/20 0.50
AKR1C2 P52895 4/20 0.48
AKR1C3 P42330 4/20 0.46
PTGS1 P23219 3/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
DYRK1A Q13627 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
AKR1C4 P17516 1/20 0.43
PTGS2 P35354 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL4816316 0.88 KDM4E (0.47) HSD17B10KDM4EMEN1ALDH1A1HPGD
SCHEMBL4810831 0.86 LMNA (0.42) HSD17B10KDM4ELCKALDH1A1HPGD
SCHEMBL4803200 0.81 DPP4 (0.52) HSD17B10
SCHEMBL4816050 0.76 CYP11B1 (0.55) HSD17B10KDM4ELCKAKR1C2AKR1C3
SCHEMBL4803475 0.76 CYP11B1 (0.55) HSD17B10KDM4ELCKAKR1C2AKR1C3
SCHEMBL13829985 0.74 KMT2A (0.43) HSD17B10KDM4EMEN1ALDH1A1HPGD
SCHEMBL16624688 0.73 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1HPGDPTGDR2
SCHEMBL4664847 0.72 HSD17B10 (0.65) HSD17B10KDM4ELCKAKR1C2AKR1C3
SCHEMBL453836 0.71 AKR1C2 (0.59) HSD17B10KDM4ELCKAKR1C2AKR1C3
SCHEMBL3296862 0.71 POLB (0.73) HSD17B10KDM4ELCKAKR1C2AKR1C3

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 HSD17B10 62/4885KDM4E 3082/4885LCK 1078/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B10 459/4885KDM4E 1775/4885LCK 3292/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B10 423/4885KDM4E 1616/4885LCK 3359/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B10 444/4885KDM4E 2392/4885LCK 3319/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B10 423/4885KDM4E 1616/4885LCK 3359/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B10 682/4885KDM4E 1922/4885LCK 3114/4885

“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.