SCHEMBL10030727

SCHEMBL10030727

CCCCCCCCC(CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCc1ccccc1)C(CCCCCCCC)CCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SIRT2 Q8IXJ6 7/20 0.55
EPHX2 P34913 3/20 0.54
SIRT1 Q96EB6 4/20 0.52
SIRT3 Q9NTG7 1/20 0.51
PRCP P42785 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL10030730 0.89 HPGD (0.54) HPGDSIRT2EPHX2FAAH
SCHEMBL20029050 0.88 EPHX2 (0.62) MEN1HPGDKMT2AALDH1A1SIRT2
SCHEMBL10030733 0.88 HPGD (0.47) MEN1HPGDKMT2AALDH1A1SIRT2
SCHEMBL27688463 0.87 EPHX2 (0.59) MEN1HPGDKMT2AALDH1A1SIRT2
SCHEMBL20960123 0.84 MEN1 (0.54) MEN1HPGDKMT2AALDH1A1SIRT2
SCHEMBL10030729 0.84 HPGD (0.56) MEN1HPGDKMT2AEPHX2
SCHEMBL19617998 0.84 HPGD (0.56) MEN1HPGDKMT2AEPHX2
SCHEMBL18743946 0.84 HPGD (0.58) MEN1HPGDKMT2AALDH1A1SIRT2
SCHEMBL10030728 0.84 EPHX2 (0.50) HPGDSIRT2EPHX2SIRT1
SCHEMBL17589268 0.83 HPGD (0.52) MEN1HPGDKMT2AALDH1A1EPHX2

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-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-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-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-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 MEN1 3843/4885HPGD 3248/4885KMT2A 200/4885

“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.