SCHEMBL10030734

SCHEMBL10030734

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 7/20 0.44
CNR1 P21554 4/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
RECQL P46063 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 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
SCHEMBL10030732 0.91 EPHX2 (0.48) HPGDCNR2TAAR1HDAC1HDAC2
SCHEMBL19617998 0.91 HPGD (0.56) HPGDSMN1; SMN2CNR2CNR1TAAR1
SCHEMBL10030729 0.91 HPGD (0.56) HPGDSMN1; SMN2CNR2CNR1TAAR1
SCHEMBL10030733 0.90 HPGD (0.47) HPGDCNR2CNR1MEN1KMT2A
SCHEMBL4570246 0.90 DGKA (0.47) HPGDCNR2CNR1EPHX2
SCHEMBL12451260 0.90 DGKA (0.47) HPGDCNR2CNR1EPHX2
SCHEMBL14370086 0.88 DGKA (0.45) HPGDCNR2CNR1EPHX2
SCHEMBL10033435 0.88 DGKA (0.49) HPGDMAPTEPHX2
SCHEMBL4570248 0.88 MAPT (0.43) SMN1; SMN2CNR2CNR1MAPT
SCHEMBL838287 0.88 MAPT (0.43) SMN1; SMN2CNR2CNR1MAPT

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-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-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-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-20110263769-A1 Phase Change Inks Containing 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 THRB 3422/4885HPGD 3248/4885SMN1; SMN2 4399/4885

“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.