SCHEMBL828009

SCHEMBL828009

C=CCOCCCCCCCCCCCCOCC=C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
CA7 P43166 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PKM P14618 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL472148 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL472092 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL472069 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL469931 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL6599871 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL827865 1.00 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL827143 0.97 POLB (0.48) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL7523635 0.94 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL197964 0.94 POLB (0.46) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL826294 0.90 POLB (0.48) POLBMEN1KMT2AALDH1A1CA1

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 10 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-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 POLB 1349/4885MEN1 3290/4885KMT2A 872/4885
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof CAD, SMCHD1, SUPT16H POLB 536/4885MEN1 3145/4885KMT2A 2006/4885

“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.