SCHEMBL826438

SCHEMBL826438

C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL472145 0.98 PSMB1 (0.53) PSMB1PSMB5PSMB2CA12CA1
SCHEMBL15869166 0.81 ALDH1A1 (0.42) PSMB1PSMB5PSMB2CA12CA1
SCHEMBL9320648 0.80 PSMB1 (0.46) PSMB1PSMB5PSMB2CA12CA1
SCHEMBL9320722 0.79 PSMB1 (0.44) PSMB1PSMB5PSMB2CA12CA1
SCHEMBL15869193 0.79 MAPT (0.39) PSMB1PSMB5PSMB2CA12CA1
SCHEMBL12184176 0.79 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL14289122 0.78 PSMB1 (0.54) PSMB1PSMB5PSMB2ESR1ESR2
1,4-Diallyloxybenzene SCHEMBL302448 0.78 CA12 (0.63) CA12CA1CA9CA2CA7
SCHEMBL14289121 0.77 PSMB1 (0.56) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL13039984 0.77 ADORA3 (0.45) PSMB1PSMB5PSMB2CA1CA2

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 14 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
US-9377690-B2 Compositon for forming metal oxide-containing film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-28 US disclosed
US-9377690-B2 Compositon for forming metal oxide-containing film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-28 US disclosed
US-20140193757-A1 COMPOSITON FOR FORMING METAL OXIDE-CONTAINING FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-10 US disclosed
US-20140193757-A1 COMPOSITON FOR FORMING METAL OXIDE-CONTAINING FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-10 US disclosed
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-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

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 PSMB1 151/4885PSMB5 105/4885PSMB2 82/4885
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof CAD, SMCHD1, SUPT16H PSMB1 113/4885PSMB5 129/4885PSMB2 189/4885

“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.