SCHEMBL1836458

SCHEMBL1836458

CCCCCC(CC)(CC)OC(C)(O)CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.34
GGPS1 O95749 7/20 0.34
SMPD1 P17405 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 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
Ethylene Glycol SCHEMBL28628408 0.79 SMN1; SMN2 (0.42) FDPSGGPS1SMPD1SMN1; SMN2LMNA
SCHEMBL130209 0.79 TSHR (0.37) FDPSGGPS1SMPD1
SCHEMBL29286569 0.77 TSHR (0.35) FDPSGGPS1SMPD1
Methoxymethane SCHEMBL28688110 0.74 TSHR (0.33) FDPSGGPS1SMPD1
SCHEMBL9233911 0.74 TSHR (0.37) FDPSGGPS1SMPD1
SCHEMBL19136738 0.74 FDPS (0.38) FDPSGGPS1SMPD1ALDH1A1
SCHEMBL6652231 0.72 TSHR (0.42) FDPSGGPS1SMPD1
SCHEMBL4769065 0.72 FDPS (0.32) FDPSSMPD1SMN1; SMN2
SCHEMBL27762959 0.71 SMPD1 (0.39) FDPSGGPS1SMPD1LMNAALDH1A1
SCHEMBL8663555 0.70 TSHR (0.40) FDPSGGPS1SMPD1

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 FDPS 3818/4885GGPS1 3251/4885SMPD1 3373/4885

“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.