SCHEMBL10072378

SCHEMBL10072378

CCCCCCCCCCCCCCOCC(=O)CO

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
PLA2G4B P0C869 3/20 0.49
USP2 O75604 1/20 0.46
NAAA Q02083 1/20 0.45
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.42
TSHR P16473 3/20 0.41
PLA2G2C Q5R387 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 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
SCHEMBL10072114 1.00 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL10072177 1.00 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL3505858 1.00 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL31197400 1.00 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL12814326 0.91 CES2 (0.52) CES2KMT2AMAPTMEN1THRB
SCHEMBL2865178 0.89 CES2 (0.72) CES2KMT2AMAPTMEN1THRB
SCHEMBL11242983 0.88 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL8567370 0.88 CES2 (0.64) CES2KMT2AMAPTMEN1THRB
SCHEMBL2430018 0.87 CES2 (0.68) CES2KMT2AMAPTMEN1THRB
SCHEMBL23064078 0.85 CES2 (0.67) CES2KMT2AMAPTMEN1THRB

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 CES2 643/4885KMT2A 1575/4885MAPT 470/4885

“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.