SCHEMBL826748

SCHEMBL826748

C=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@@H](COCC=C)OCC=C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
CA7 P43166 1/20 0.42
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15210043 1.00 CA1 (0.43) CA1CA2CA9CA7ALDH1A1
SCHEMBL4482023 0.95 CA1 (0.43) CA1CA2CA9CA7ALDH1A1
SCHEMBL3293856 0.90 CA1 (0.40) CA1CA2CA9CA7
SCHEMBL826443 0.88 CA1 (0.48) CA1CA2CA9CA7ALDH1A1
SCHEMBL3292581 0.86 CA1 (0.40) CA1CA2CA9CA7
SCHEMBL3290672 0.86 CA1 (0.41) CA1CA2CA9CA7
SCHEMBL12440878 0.83 CA1 (0.42) CA1CA2CA9CA7
SCHEMBL31074798 0.83 CA1 (0.35) CA1CA2CA9CA7
SCHEMBL3291599 0.83 CA1 (0.42) CA1CA2CA9CA7
SCHEMBL2240677 0.80 CA1 (0.40) CA1CA2CA9CA7

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 17 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-7732646-B2 Crosslinking agent based on linear hydroxypolyallyl ether DAISO CO., LTD. (JP) 2010-06-08 US disclosed
US-7271219-B2 Useful as overcoating materials and interlayer insulating materials for wiring boards SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US 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
US-20050113526-A1 Crosslinking agent based on linear hydroxypolyallyl ether OSAKA SODA CO., LTD. (JP) 2005-05-26 US disclosed
US-20040102601-A1 Useful as overcoating materials and interlayer insulating materials for wiring boards SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-05-27 US disclosed
EP-1375553-A1 CURABLE RESIN, CURABLE RESIN MATERIAL, CURABLE FILM, AND INSULATOR SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-02 EP disclosed
US-5886115-A BULK POLYMERIZATION USING A TRANSITION METAL CARBONYL COMPLEX CATALYST AND A COCATALYST HAVING A SILICON-HYDROGEN BONE; KITS FOR CURABLE POLYMERS; COATINGS, SEALS, ADHESIVES; CONSTRUCTION MATERIALS RENSSELAER POLYTECHNIC INSTITUTE (US) 1999-03-23 US disclosed
US-4433179-A Process for the preparation of di- and poly-allyl ethers CIBA-GEIGY CORPORATION (US) 1984-02-21 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 (2 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-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF SMCHD1, CAD, ESD CA1 1100/4885CA2 2766/4885CA9 2805/4885
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof CAD, SMCHD1, SUPT16H CA1 1048/4885CA2 3336/4885CA9 2310/4885

“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.