SCHEMBL7106837

SCHEMBL7106837

CCCCCCC(CCCCCC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
HTT P42858 1/20 0.50
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
CES2 O00748 1/20 0.42
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
GGPS1 O95749 1/20 0.41
SMPD1 P17405 1/20 0.40
FAAH O00519 2/20 0.40
FDPS P14324 2/20 0.39

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
SCHEMBL7505385 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11063113 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11065218 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11068420 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11001712 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL21046041 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8216269 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL183166 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7516322 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7516454 1.00 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
EP-3353157-B1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS UNIV CARNEGIE MELLON (US) 2021-11-24 EP disclosed
CN-106748724-A A kind of method for preparing Guerbet acid as raw material with malonate 中国科学院上海高等研究院 2017-05-31 CN disclosed
US-8822635-B2 Selenium-based monomers and conjugated polymers, methods of making, and use thereof THE UNIVERSITY OF CONNECTICUT (US) 2014-09-02 US disclosed
EP-2681255-A2 SELENIUM-BASED MONOMERS AND CONJUGATED POLYMERS, METHODS OF MAKING, AND USE THEREOF University of Connecticut (US) 2014-01-08 EP disclosed
US-20130289286-A1 SELENIUM-BASED MONOMERS AND CONJUGATED POLYMERS, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF CONNECTICUT (US) 2013-10-31 US disclosed
US-8513377-B2 Selenium-based monomers and conjugated polymers, methods of making, and use thereof THE UNIVERSITY OF CONNECTICUT (US) 2013-08-20 US disclosed
WO-2012118818-A2 SELENIUM-BASED MONOMERS AND CONJUGATED POLYMERS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2012-09-07 WO disclosed
US-20120226015-A1 SELENIUM-BASED MONOMERS AND CONJUGATED POLYMERS, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF CONNECTICUT 2012-09-06 US disclosed
CN-1193992-C Synthesis of 3,6-dialkyl 5,6-dihydro-4-hydroxide-2H-pyran-2-ketone HOFFMANN LA ROCHE (CH) 2005-03-23 CN disclosed
CN-1121906-C Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 2003-09-24 CN disclosed
EP-1127886-B1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one HOFFMANN LA ROCHE (CH) 2003-05-07 EP disclosed
US-6552204-B1 Lactonization of an acyl halide and a ketene acetal or reacting acyl halide with malonate half acid then cyclizing; high yield ROCHE COLORADO CORPORATION 2003-04-22 US disclosed
EP-0914206-B1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS UNIV CARNEGIE MELLON (US) 2002-12-11 EP disclosed
CN-1319596-A Synthesis of 3,6-dialkyl 5,6-dihydro-4-hydroxide-2H-pyran-2-ketone HOFFMANN LA ROCHE (CH) 2001-10-31 CN disclosed
EP-1127886-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP disclosed
CN-1230903-A Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 1999-10-06 CN 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-20120226015-A1 SELENIUM-BASED MONOMERS AND CONJUGATED POLYMERS, METHODS OF MAKING, AND USE THEREOF SELENOI, SCLY, GPX4 MEN1 285/4885KMT2A 2137/4885MAPT 1076/4885

“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.