SCHEMBL1836709

SCHEMBL1836709

CC(C)CCOCC(O)COCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.38
LPAR5 Q9H1C0 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL10498241 0.89 HSD17B10 (0.40) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL13500022 0.88 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL116747 0.88 USP2 (0.53) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL10498824 0.87 USP2 (0.53) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL3915203 0.84 HSD17B10 (0.61) HSD17B10TDP1ALDH1A1GAACA12
SCHEMBL23604400 0.84 CA1 (0.53) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL101404 0.83 LMNA (0.50) HSD17B10TDP1ALDH1A1GAAUSP2
SCHEMBL11219746 0.81 USP2 (0.52) HSD17B10TDP1USP2HTTLPAR5
SCHEMBL29044240 0.81 USP2 (0.52) HSD17B10TDP1USP2HTTLPAR5
SCHEMBL23072764 0.81 KDM4E (0.39) HSD17B10TDP1ALDH1A1GAAKDM4E

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
EP-2318346-B1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES LLC (US) 2013-11-20 EP disclosed
WO-2011106194-A2 PROCESS FOR MAKING POLYOL ETHERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 WO disclosed
US-20110207969-A1 PROCESS FOR MAKING POLYOL ETHERS DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 US 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 (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-20110207969-A1 PROCESS FOR MAKING POLYOL ETHERS PUF60, PARG, PCBP1 HSD17B10 727/4885TDP1 4209/4885ALDH1A1 3977/4885
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 HSD17B10 244/4885TDP1 1846/4885ALDH1A1 692/4885

“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.