SCHEMBL10030728

SCHEMBL10030728

CCCCCCCCC(CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)Oc1ccccc1)C(CCCCCCCC)CCCCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
ASAH1 Q13510 1/20 0.49
HPGD P15428 2/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1130922 0.89 ZDHHC2 (0.59) EPHX2HPGDZDHHC2
SCHEMBL1993452 0.89 ZDHHC2 (0.59) EPHX2HPGDZDHHC2
SCHEMBL8385262 0.89 ZDHHC2 (0.59) EPHX2HPGDZDHHC2
SCHEMBL8387295 0.89 ZDHHC2 (0.59) EPHX2HPGDZDHHC2
SCHEMBL19617998 0.86 HPGD (0.56) EPHX2HPGDHDAC1HDAC2
SCHEMBL10030729 0.86 HPGD (0.56) EPHX2HPGDHDAC1HDAC2
Sulfuric Acid SCHEMBL8433373 0.85 ZDHHC2 (0.55) EPHX2HPGDZDHHC2
SCHEMBL10030727 0.84 MEN1 (0.57) EPHX2HPGDSIRT2SIRT1
SCHEMBL16589850 0.83 SMN1; SMN2 (0.54) HPGDZDHHC2
SCHEMBL10030730 0.82 HPGD (0.54) EPHX2HPGDSIRT2HDAC8HDAC3

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-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
US-20110263890-A1 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-20110263769-A1 Phase Change Inks Containing 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

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 1171/4885ASAH1 1670/4885HPGD 3248/4885

“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.