SCHEMBL10030732

SCHEMBL10030732

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
HPGD P15428 1/20 0.45
CNR2 P34972 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
CTSK P43235 1/20 0.41
TLR2 O60603 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL10030733 0.94 HPGD (0.47) EPHX2HPGDCNR2SIRT2
SCHEMBL10030734 0.91 THRB (0.50) EPHX2HPGDCNR2TAAR1HDAC1
SCHEMBL10030730 0.91 HPGD (0.54) EPHX2HPGDCNR2FAAHLMNA
SCHEMBL4570246 0.90 DGKA (0.47) EPHX2HPGDCNR2FAAH
SCHEMBL12451260 0.90 DGKA (0.47) EPHX2HPGDCNR2FAAH
SCHEMBL14370086 0.88 DGKA (0.45) EPHX2HPGDCNR2FAAH
SCHEMBL10033435 0.88 DGKA (0.49) EPHX2HPGDFAAH
SCHEMBL13324820 0.87 DGKA (0.44) EPHX2HPGDCNR2FAAH
SCHEMBL10308812 0.87 NAAA (0.44) EPHX2HPGDCNR2FAAH
SCHEMBL13324790 0.87 DGKA (0.44) EPHX2HPGDCNR2FAAH

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012527-B2 Curable compositions for three-dimensional printing XEROX CORPORATION (US) 2015-04-21 US disclosed
US-9012527-B2 Curable compositions for three-dimensional printing XEROX CORPORATION (US) 2015-04-21 US disclosed
US-20140053754-A1 CURABLE COMPOSITIONS FOR THREE-DIMENSIONAL PRINTING XEROX CORPORATION (US) 2014-02-27 US disclosed
US-20140053754-A1 CURABLE COMPOSITIONS FOR THREE-DIMENSIONAL PRINTING XEROX CORPORATION (US) 2014-02-27 US disclosed
US-8581000-B2 Process for preparing amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2013-11-12 US disclosed
US-8507584-B2 Phase change inks containing amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2013-08-13 US disclosed
US-8507584-B2 Phase change inks containing amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2013-08-13 US disclosed
US-20120309924-A1 Process for Preparing Amide Gellant Compounds with Aromatic End Groups XEROX CORPORATION (US) 2012-12-06 US disclosed
US-20120282448-A1 METHODS FOR FABRICATING THREE-DIMENSIONAL OBJECTS XEROX CORPORATION (US) 2012-11-08 US disclosed
US-20120282448-A1 METHODS FOR FABRICATING THREE-DIMENSIONAL OBJECTS XEROX CORPORATION (US) 2012-11-08 US disclosed
US-8084637-B2 Amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2011-12-27 US disclosed
US-8084637-B2 Amide gellant compounds with aromatic end groups XEROX CORPORATION (US) 2011-12-27 US disclosed
US-20110262711-A1 CURABLE COMPOSITIONS FOR THREE-DIMENSIONAL PRINTING XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110263769-A1 Phase Change Inks Containing Amide Gellant Compounds With Aromatic End Groups XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110263890-A1 Amide Gellant Compounds With Aromatic End Groups XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110263769-A1 Phase Change Inks Containing Amide Gellant Compounds With Aromatic End Groups XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110262711-A1 CURABLE COMPOSITIONS FOR THREE-DIMENSIONAL PRINTING XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110263890-A1 Amide Gellant Compounds With Aromatic End Groups XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110262643-A1 INK COMPOSITIONS AND METHODS XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20110262643-A1 INK COMPOSITIONS AND METHODS XEROX CORPORATION (US) 2011-10-27 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-20110263890-A1 Amide Gellant Compounds With Aromatic End Groups NAT1, AGPAT2, CCNT1 EPHX2 1171/4885HPGD 3248/4885CNR2 56/4885

“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.