SCHEMBL1836147

SCHEMBL1836147

CC(C)COCC(O)COCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 3/20 0.32
MAPK1 P28482 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
Isopropyl Alcohol SCHEMBL7592214 0.87 ALDH1A1 (0.43) KDM4EHSD17B10L3MBTL1TDP1ALDH1A1
SCHEMBL117539 0.86 USP2 (0.48) KDM4EHSD17B10L3MBTL1TDP1ALDH1A1
SCHEMBL10469575 0.86 KDM4E (0.44) KDM4EHSD17B10L3MBTL1TDP1GAA
SCHEMBL12363491 0.85 HSD17B10 (0.43) KDM4EHSD17B10L3MBTL1TDP1GAA
SCHEMBL20825404 0.84 HTT (0.50) KDM4EHSD17B10L3MBTL1ALDH1A1HTT
Methyl Alcohol SCHEMBL28414164 0.83 ALDH1A1 (0.38) KDM4EHSD17B10L3MBTL1ALDH1A1TSHR
SCHEMBL24856 0.83
Glycerin SCHEMBL4248130 0.82 LMNA (0.50) KDM4EHSD17B10L3MBTL1TDP1ALDH1A1
SCHEMBL16013817 0.82 L3MBTL1 (0.46) KDM4EHSD17B10L3MBTL1TDP1GAA
SCHEMBL23560611 0.81 HSD17B10 (0.62) KDM4EHSD17B10L3MBTL1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082742-A Polyol ethers and the method for preparing them 陶氏环球技术有限责任公司 2017-08-22 CN 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
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 KDM4E 609/4885HSD17B10 244/4885L3MBTL1 4000/4885

“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.