SCHEMBL4812481

SCHEMBL4812481

COc1ccc(CNCC(OC)OC)cc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
HTT P42858 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
BCHE P06276 2/20 0.63
NPY1R P25929 1/20 0.63
NPY2R P49146 1/20 0.63
ALDH1A1 P00352 2/20 0.62
SLC2A1 P11166 1/20 0.52
MEN1 O00255 2/20 0.52
ATM Q13315 1/20 0.52
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
F7 P08709 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.50

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
SCHEMBL16764559 0.89 KMT2A (0.60) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL9416614 0.85 LMNA (0.73) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL2236986 0.85 MEN1 (0.66) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL16765289 0.84 BCHE (0.60) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL4814380 0.84 L3MBTL1 (0.57) LMNAKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31192440 0.83 BCHE (0.65) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL9622966 0.82 KMT2A (0.61) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL3051565 0.81 LMNA (0.74) LMNAHTTKMT2AKDM4ESMN1; SMN2
SCHEMBL21465770 0.80 BCHE (0.70) KMT2AKDM4EBCHEALDH1A1MEN1
SCHEMBL28312735 0.80 LMNA (0.63) LMNAHTTKMT2AKDM4ESMN1; SMN2

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 LMNA 2074/4885HTT 1632/4885KMT2A 4298/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A LMNA 2044/4885HTT 1585/4885KMT2A 2018/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A LMNA 2024/4885HTT 1448/4885KMT2A 1786/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A LMNA 1202/4885HTT 1320/4885KMT2A 1652/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A LMNA 2024/4885HTT 1448/4885KMT2A 1786/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A LMNA 1974/4885HTT 2286/4885KMT2A 1504/4885

“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.