SCHEMBL1838995

SCHEMBL1838995

CC(C)OCC(O)CO.OCC(O)COCC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL1487123 0.93
SCHEMBL5027030 0.93
SCHEMBL764019 0.93
Isopropyl Alcohol SCHEMBL8330958 0.90 SMN1; SMN2 (0.41) USP2SMN1; SMN2KDM4ELMNAALDH1A1
Propylene Glycol SCHEMBL8505000 0.88 TDP1 (0.50) USP2SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL19184633 0.87 SMN1; SMN2 (0.42) USP2SMN1; SMN2KDM4ECA1CA2
Ether SCHEMBL7734870 0.86 USP2 (0.42) USP2SMN1; SMN2KDM4ELMNAALDH1A1
Isopropyl Alcohol SCHEMBL7787253 0.85 USP2 (0.52) USP2KDM4ELMNAALDH1A1MEN1
Isobutane SCHEMBL27997158 0.85 USP2 (0.52) USP2SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL478386 0.84 TDP1 (0.50) USP2KDM4ELMNAALDH1A1MEN1

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 5 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
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
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 USP2 70/4885SMN1; SMN2 2784/4885KDM4E 609/4885

“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.