SCHEMBL1830290

SCHEMBL1830290

CC(CCC(=O)OCCO)OCCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
DGKA P23743 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13500019 0.91 DGKA (0.39) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL1830090 0.86 EPHX2 (0.39) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL1829045 0.85 DGKA (0.36) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL28793915 0.85 DGKA (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL1830972 0.84 ACHE (0.36) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL2531971 0.82 CA1 (0.43) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL31182138 0.81 CYP19A1 (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL13500025 0.81 EPHX2 (0.41) MGLLMAPTDGKAALDH1A1TSHR
SCHEMBL821822 0.80 ADRA2A (0.43) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL13500018 0.80 DGKA (0.43) MGLLMAPTDGKAALDH1A1TSHR

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
US-8829229-B2 Polyol ethers and process for making them DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 US disclosed
US-8829229-B2 Polyol ethers and process for making them DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 US disclosed
EP-2318346-B1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES LLC (US) 2013-11-20 EP disclosed
EP-2318346-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM Dow Global Technologies LLC (US) 2011-05-11 EP disclosed
WO-2010027663-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES INC. (US) 2010-03-11 WO disclosed
WO-2010027663-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES INC. (US) 2010-03-11 WO disclosed
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 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 (1 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-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials RNF114, USP14, USP13 MGLL 51/4885ADRA2A 3213/4885ADRA1A 3198/4885

“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.