SCHEMBL10072103

SCHEMBL10072103

O=C(CO)COCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 5/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL10072104 0.95
SCHEMBL29051210 0.81 GAA (0.37) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL19661694 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL7243144 0.81 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15315156 0.81 CES2 (0.38) MEN1KMT2ATSHRTHRBHTT
SCHEMBL10072111 0.78 L3MBTL1 (0.33)
SCHEMBL29997828 0.78 MEN1 (0.47) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL4453871 0.78 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3545968 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14312417 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
WO-2012084121-A1 DIHYDROXYACETONE MONOETHER MERCK PATENT GMBH (DE) 2012-06-28 WO 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-20130272978-A1 DIHYDROXYACETONE MONOETHERS GNPAT, UGT1A7, UGT1A3 MEN1 1002/4885KMT2A 1575/4885TSHR 3936/4885

“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.