SCHEMBL3590634

SCHEMBL3590634

CCCCCCCCCCCOC(C)COCCOCCOCCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.63
THRB P10828 1/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.48
USP2 O75604 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
LPAR1 Q92633 4/20 0.43
LPAR3 Q9UBY5 4/20 0.43
LPAR2 Q9HBW0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL28161776 0.96 HTT (0.57) MEN1KMT2AHTTTHRBMAPT
SCHEMBL10484508 0.95 HTT (0.53) MEN1KMT2AHTTTHRBMAPT
SCHEMBL4806772 0.93 TSHR (0.57) MEN1KMT2AHTTTHRBMAPT
SCHEMBL29441512 0.92 HTT (0.62) MEN1KMT2AHTTTHRBMAPT
SCHEMBL29441516 0.92 HTT (0.62) MEN1KMT2AHTTTHRBMAPT
SCHEMBL29441494 0.92 HTT (0.62) MEN1KMT2AHTTTHRBMAPT
SCHEMBL29441485 0.92 HTT (0.62) MEN1KMT2AHTTTHRBMAPT
SCHEMBL17206872 0.92 HTT (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7181445 0.89 TSHR (0.56) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11457821 0.88 TSHR (0.61) MEN1KMT2AHTTTHRBMAPT

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 3 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
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 MEN1 4554/4885KMT2A 1606/4885HTT 147/4885

“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.