SCHEMBL827322

SCHEMBL827322

C=CCOC1C(OCC=C)C(OCC=C)C(OCC=C)C(OCC=C)C1OCC=C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6744326 0.86 GBA1 (0.32) CYP3A4
SCHEMBL18335379 0.86 GBA1 (0.32) CYP3A4
SCHEMBL18335397 0.86 CYP3A4 (0.30) CYP3A4
SCHEMBL18335378 0.84 GBA1 (0.35)
SCHEMBL13528521 0.82 SLC2A1 (0.33) ALDH1A1CYP3A4
SCHEMBL17131873 0.82 SLC2A1 (0.33) ALDH1A1CYP3A4
SCHEMBL18335407 0.80 GBA1 (0.37) CYP3A4
SCHEMBL4374229 0.80 SLC2A1 (0.33) CYP3A4
SCHEMBL14000857 0.78 GBA1 (0.41) ALDH1A1
SCHEMBL15326549 0.78 GBA1 (0.41) ALDH1A1

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-8143362-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US claimed
US-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF 3M ESPE AG (A WHOLLY-OWNED SUBSIDUARY OF 3M COMPANY) 2010-12-30 US claimed
US-7807730-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M ESPE AG (DE) 2010-10-05 US claimed
EP-1650263-B1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof MINNESOTA MINING MFG GMBH (DE) 2013-10-23 EP disclosed
US-8143362-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF 3M ESPE AG (A WHOLLY-OWNED SUBSIDUARY OF 3M COMPANY) 2010-12-30 US disclosed
US-7807730-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M ESPE AG (DE) 2010-10-05 US disclosed
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M DEUTSCHLAND GMBH (DE) 2006-05-25 US disclosed
EP-1652889-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M Espe AG (DE) 2006-05-03 EP disclosed
EP-1650263-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M Espe AG (DE) 2006-04-26 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 468/4885CYP3A4 725/4885
US-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF SMCHD1, CAD, ESD ALDH1A1 1550/4885CYP3A4 2994/4885
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof CAD, SMCHD1, SUPT16H ALDH1A1 2624/4885CYP3A4 2982/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 468/4885CYP3A4 725/4885

“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.