SCHEMBL3241644

SCHEMBL3241644

O=C(CC(CC(=O)NC1CCCCC1)C(=O)NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.53
HPGD P15428 4/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 3/20 0.48
CYP3A4 P08684 3/20 0.48
NPC1 O15118 2/20 0.48
EPHX2 P34913 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2C19 P33261 2/20 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
SCHEMBL12065156 0.87 LMNA (0.49) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2454853 0.85 EPHX1 (0.53) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13209039 0.83 EPHX1 (0.52) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12065150 0.82 SMN1; SMN2 (0.53) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL556372 0.81 EPHX1 (0.46) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28426554 0.80 ALDH1A1 (0.56) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2450410 0.80 CYP3A4 (0.41) EPHX1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL556705 0.80 CA12 (0.40) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2454792 0.79 KMT2A (0.45) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2447418 0.79 HPGD (0.40) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867630-B1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEM CO LTD (JP) 2010-10-20 EP claimed
US-7745661-B2 Process for producing tricarboxylic acid tris (alkyl-substituted cyclohexylamide) NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-06-29 US claimed
US-20090069599-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO., LTD., (JP) 2009-03-12 US claimed
EP-1867630-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO.,LTD. (JP) 2007-12-19 EP claimed
EP-2726940-B1 YELLOW TONER CANON KK (JP) 2017-01-18 EP disclosed
US-9249267-B2 Resin-additive masterbatch ADEKA CORPORATION (JP) 2016-02-02 US disclosed
US-20140080049-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2014-03-20 US disclosed
EP-2578620-A1 RESIN-ADDITIVE MASTERBATCH Adeka Corporation (JP) 2013-04-10 EP disclosed
US-20130065994-A1 RESIN-ADDITIVE MASTERBATCH ADEKA CORPORATION (JP) 2013-03-14 US disclosed
WO-2013002294-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2013-01-03 WO disclosed
WO-2012153669-A1 PIGMENT DISPERSION, INK COMPOSITION INCLUDING PIGMENT DISPERSION, AND COLOR FILTER YELLOW RESIST COMPOSITION INCLUDING PIGMENT DISPERSION CANON KABUSHIKI KAISHA (JP) 2012-11-15 WO disclosed
EP-1867630-B1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEM CO LTD (JP) 2010-10-20 EP disclosed
US-7745661-B2 Process for producing tricarboxylic acid tris (alkyl-substituted cyclohexylamide) NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-06-29 US disclosed
US-20090069599-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO., LTD., (JP) 2009-03-12 US disclosed
EP-1867630-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEMICAL CO.,LTD. (JP) 2007-12-19 EP 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-20090069599-A1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) ACMSD, CPS1, COASY EPHX1 3985/4885HPGD 903/4885KMT2A 3082/4885

“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.