SCHEMBL1509672

SCHEMBL1509672

C=CCc1ccc([O])c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.68
GABRA1 P14867 5/20 0.60
GABRB2 P47870 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
CNR2 P34972 3/20 0.60
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
CNR1 P21554 2/20 0.60
KMT2A Q03164 2/20 0.60
PPARG P37231 2/20 0.60
PPARD Q03181 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH2 P05091 1/20 0.60
AKR1B1 P15121 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TNKS O95271 2/20 0.54
PARP1 P09874 1/20 0.54
ALOX5 P09917 4/20 0.51

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
Hydroxychavicol SCHEMBL43300 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1MAPT
Hydroxychavicol SCHEMBL15676540 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL25287635 0.81 XDH (0.76) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL29414894 0.81 XDH (0.76) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL4452326 0.78 XDH (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL1006107 0.78 XDH (0.70) XDHGABRA1GABRB2ALDH1A1MAPT
Hydroxychavicol SCHEMBL22717104 0.77 XDH (0.81) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL680148 0.77 XDH (0.63) XDHGABRA1GABRB2ALDH1A1MAPT
Hydroxychavicol SCHEMBL29440283 0.77 XDH (0.81) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL5961687 0.76 ALDH1A1 (0.47) XDHGABRA1GABRB2ALDH1A1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214464-A1 COMPOUNDS FOR FLAVIVIRIDAE TREATMENT NOVARTIS AG (CH) 2009-08-27 US claimed
US-20070275884-A1 Use of modified cyclosporins for the treatment of hcv disorders NOVARTIS AG (CH) 2007-11-29 US claimed
EP-1797892-A1 Use of modified cyclosporins for the treatment of HCV disorders Novartis AG (CH) 2007-06-20 EP claimed
EP-1663287-A1 USE OF MODIFIED CYCLOSPORINS FOR THE TREATMENT OF HCV DISORDERS Novartis AG (CH) 2006-06-07 EP claimed
WO-2005021028-A1 USE OF MODIFIED CYCLOSPORINS FOR THE TREATMENT OF HCV DISORDERS NOVARTIS AG (CH) 2005-03-10 WO claimed
EP-1797892-B1 Use of modified cyclosporins for the treatment of HCV disorders NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-7968518-B2 Use of modified cyclosporins for the treatment of HCV disorders NOVARTIS AG (CH) 2011-06-28 US disclosed
US-7897565-B2 Compositions for HCV treatment NOVARTIS AG (CH) 2011-03-01 US disclosed
US-20100130408-A1 USE OF MODIFIED CYCLOSPORINS KOHJIMA MOTOYUKI 2010-05-27 US disclosed
US-20090214464-A1 COMPOUNDS FOR FLAVIVIRIDAE TREATMENT NOVARTIS AG (CH) 2009-08-27 US disclosed
US-20090104149-A1 Compositions For HCV Treatment NOVARTIS AG (CH) 2009-04-23 US disclosed
US-20070275884-A1 Use of modified cyclosporins for the treatment of hcv disorders NOVARTIS AG (CH) 2007-11-29 US disclosed
EP-1797892-A1 Use of modified cyclosporins for the treatment of HCV disorders Novartis AG (CH) 2007-06-20 EP disclosed
EP-1663287-A1 USE OF MODIFIED CYCLOSPORINS FOR THE TREATMENT OF HCV DISORDERS Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005021028-A1 USE OF MODIFIED CYCLOSPORINS FOR THE TREATMENT OF HCV DISORDERS NOVARTIS AG (CH) 2005-03-10 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 (4 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-20100130408-A1 USE OF MODIFIED CYCLOSPORINS CHP1, SERPINA6, FKBP2 XDH 2109/4885GABRA1 1786/4885GABRB2 1217/4885
US-20090104149-A1 Compositions For HCV Treatment HAVCR2, PPIB, FKBP1B XDH 3558/4885GABRA1 1832/4885GABRB2 873/4885
US-20070275884-A1 Use of modified cyclosporins for the treatment of hcv disorders HAVCR2, FKBP1A, FKBP2 XDH 1942/4885GABRA1 1666/4885GABRB2 1477/4885
US-20090214464-A1 COMPOUNDS FOR FLAVIVIRIDAE TREATMENT HAVCR2, PPIG, PPIH XDH 912/4885GABRA1 1571/4885GABRB2 1244/4885

“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.