SCHEMBL847046

SCHEMBL847046

C=CCOC(OCC=C)(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.34
RIPK1 Q13546 1/20 0.34
CYP2D6 P10635 3/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
SLC6A4 P31645 2/20 0.31
SLC22A1 O15245 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
SLC6A2 P23975 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
SCHEMBL10660143 0.78 LMNA (0.42) TSHRCYP3A4RIPK1CYP2D6AOC3
SCHEMBL10525043 0.72 CYP2D6 (0.41) ALDH1A1CYP2C19HTTCYP3A4RIPK1
SCHEMBL28886031 0.72 ALDH1A1 (0.43) ALDH1A1CYP2C19TSHRHTTCYP3A4
SCHEMBL1582466 0.72 ALDH1A1 (0.43) ALDH1A1CYP2C19TSHRHTTCYP3A4
SCHEMBL2456204 0.72 AOC3 (0.43) ALDH1A1CYP3A4RIPK1CYP2D6AOC3
SCHEMBL2856185 0.71 KIF11 (0.50) ALDH1A1TSHRHTTCYP3A4MEN1
SCHEMBL159212 0.70 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4RIPK1CYP2D6
SCHEMBL6931967 0.70 ALDH1A1 (0.39) ALDH1A1TSHRRIPK1AOC3
SCHEMBL28886036 0.70 ALDH1A1 (0.40) ALDH1A1TSHRHTTCYP3A4MEN1
SCHEMBL831207 0.69 HTT (0.46) ALDH1A1CYP2C19TSHRHTTRIPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1550/4885CYP2C19 2009/4885TSHR 3257/4885
US-20060111464-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof CAD, SMCHD1, SUPT16H ALDH1A1 2624/4885CYP2C19 2140/4885TSHR 3545/4885

“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.