SCHEMBL7603079

SCHEMBL7603079

COC1CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 7/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32

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
SCHEMBL13646756 1.00 CYP3A4 (0.36) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL17145964 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL18390942 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL14819927 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL23277703 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL24106455 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL7602274 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL12848830 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL17676555 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL7155026 0.89 LMNA (0.31) CYP3A4LMNASTAT3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675474-B2 PALATABLE DUCTILE CHEWABLE VETERINARY COMPOSITION NOVARTIS TIERGESUNDHEIT AG (CH) 2016-12-07 EP disclosed
EP-2219643-B1 ANTHELMINTIC PASTE COMPRISING PRAZIQUANTEL, A MACROLIDE LACTONE, CYCLODEXTRIN AND A THICKENER NOVARTIS AG (CH) 2012-05-16 EP disclosed
US-7964635-B2 Amidoacetonitrile derivatives NOVARTIS AG (CH) 2011-06-21 US disclosed
US-7964635-B2 Amidoacetonitrile derivatives NOVARTIS AG (CH) 2011-06-21 US disclosed
US-20100286154-A1 ANTIHELMINTIC PASTE NOVARTIS TIERGESUNDHEIT AG (CH) 2010-11-11 US disclosed
US-20100286154-A1 ANTIHELMINTIC PASTE NOVARTIS TIERGESUNDHEIT AG (CH) 2010-11-11 US disclosed
US-7705047-B2 Amidoacetonitrile derivatives NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7705047-B2 Amidoacetonitrile derivatives NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7642379-B2 Aminoacetonitrile derivatives and their use for controlling parasites on warm-blooded animals NOVARTIS AG (CH) 2010-01-05 US disclosed
US-7642379-B2 Aminoacetonitrile derivatives and their use for controlling parasites on warm-blooded animals NOVARTIS AG (CH) 2010-01-05 US disclosed
US-7494956-B2 N-[1-cyano-1-methyl-2-(4-cyano-2-chlorophenoxy)-ethyl]-4-trifluoromethylbenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine NOVARTIS AG (CH) 2009-02-24 US disclosed
US-7494956-B2 N-[1-cyano-1-methyl-2-(4-cyano-2-chlorophenoxy)-ethyl]-4-trifluoromethylbenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine NOVARTIS AG (CH) 2009-02-24 US disclosed
EP-1682493-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2009-01-07 EP disclosed
EP-1675474-B1 PALATABLE DUCTILE CHEWABLE VETERINARY COMPOSITION NOVARTIS AG (CH) 2008-10-22 EP disclosed
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20070072944-A1 Amidoacetonitrile derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-03-29 US disclosed
US-20070072944-A1 Amidoacetonitrile derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-03-29 US disclosed
US-20070037881-A1 N-[1-cyano-1-methyl-2-(5-cyano-2-{2,4-dichlorophenoxy}-phenoxy)-ethyl]-4-trifluoromethoxybenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070037881-A1 N-[1-cyano-1-methyl-2-(5-cyano-2-{2,4-dichlorophenoxy}-phenoxy)-ethyl]-4-trifluoromethoxybenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US 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-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals MB, ACHE, ADORA2B CYP3A4 554/4885LMNA 1834/4885STAT3 4064/4885
US-20070072944-A1 Amidoacetonitrile derivatives ACHE, NGLY1, NIT2 CYP3A4 1660/4885LMNA 195/4885STAT3 4268/4885
US-20100286154-A1 ANTIHELMINTIC PASTE PIGS, CTRL, SI CYP3A4 637/4885LMNA 1367/4885STAT3 4212/4885
US-20070037881-A1 N-[1-cyano-1-methyl-2-(5-cyano-2-{2,4-dichlorophenoxy}-phenoxy)-ethyl]-4-trifluoromethoxybenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine CMA1, H1-2, H1-0 CYP3A4 728/4885LMNA 531/4885STAT3 3402/4885

“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.