SCHEMBL1831707

SCHEMBL1831707

CC(C)COCC(CO)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36

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
SCHEMBL11890269 0.85 TSHR (0.44) TSHR
SCHEMBL1232354 0.85 ALDH1A1 (0.32)
SCHEMBL19196915 0.81 MEN1 (0.42) TSHR
SCHEMBL25382421 0.81 TSHR (0.42) TSHR
SCHEMBL16248837 0.81 LPAR6 (0.31)
SCHEMBL18251586 0.79 HSD17B10 (0.43)
SCHEMBL6026203 0.78 USP2 (0.34)
SCHEMBL24304670 0.78 USP2 (0.58)
SCHEMBL712369 0.78 TSHR (0.38) TSHR
SCHEMBL19041839 0.78 TSHR (0.38) TSHR

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
WO-2017137895-A1 NEW DENDRIMERIC PYRROLIDINES, THEIR SYNTHESIS AND MEDICAL USE UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-08-17 WO 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 TSHR 3945/4885

“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.