SCHEMBL10030730

SCHEMBL10030730

CCCCCCCCC(CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCCc1ccccc1)C(CCCCCCCC)CCCCCCCCC(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
EPHX2 P34913 4/20 0.54
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
F13A1 P00488 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL10030732 0.91 EPHX2 (0.48) HPGDEPHX2LMNAPKMTAAR1
SCHEMBL10030729 0.89 HPGD (0.56) HPGDEPHX2TAAR1HDAC1HDAC2
SCHEMBL19617998 0.89 HPGD (0.56) HPGDEPHX2TAAR1HDAC1HDAC2
SCHEMBL10030727 0.89 MEN1 (0.57) HPGDEPHX2SIRT2FAAH
SCHEMBL10030733 0.84 HPGD (0.47) HPGDEPHX2SIRT2CNR2
SCHEMBL873318 0.83 DGKA (0.66) HPGDEPHX2
SCHEMBL873938 0.83 DGKA (0.66) HPGDEPHX2
SCHEMBL3506704 0.83 DGKA (0.66) HPGDEPHX2
SCHEMBL10766992 0.83 DGKA (0.66) HPGDEPHX2
SCHEMBL28381584 0.83 DGKA (0.66) HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210922-A1 3D PRINTING SYSTEM COMPRISING SOLID BUILD INK COMPRISING COLORANT XEROX CORPORATION 2017-07-27 US disclosed
US-20170210922-A1 3D PRINTING SYSTEM COMPRISING SOLID BUILD INK COMPRISING COLORANT XEROX CORPORATION 2017-07-27 US disclosed
US-9676952-B2 3D printing system comprising solid build ink comprising colorant XEROX CORPORATION (US) 2017-06-13 US disclosed
US-9676952-B2 3D printing system comprising solid build ink comprising colorant XEROX CORPORATION (US) 2017-06-13 US disclosed
US-20160244628-A1 3D PRINTING SYSTEM COMPRISING SOLID BUILD INK COMPRISING COLORANT XEROX CORPORATION 2016-08-25 US disclosed
US-20160244628-A1 3D PRINTING SYSTEM COMPRISING SOLID BUILD INK COMPRISING COLORANT XEROX CORPORATION 2016-08-25 US disclosed
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-20140171537-A1 Orange Curable Ink XEROX CORPORATION (US) 2014-06-19 US disclosed
US-20140171537-A1 Orange Curable Ink XEROX CORPORATION (US) 2014-06-19 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-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-20110262643-A1 INK COMPOSITIONS AND METHODS 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-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

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 HPGD 3248/4885EPHX2 1171/4885LMNA 1170/4885

“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.