SCHEMBL5147828

SCHEMBL5147828

[CH2]CC(=O)N(CCCCCC)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
CA2 P00918 1/20 0.47
ZDHHC20 Q5W0Z9 2/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
MGLL Q99685 1/20 0.42
DNM1 Q05193 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
KDM5A P29375 3/20 0.39
PHF8 Q9UPP1 3/20 0.39
KDM4C Q9H3R0 2/20 0.39

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
SCHEMBL6161695 1.00 CA12 (0.47) CA12CA1CA9CA2ZDHHC20
SCHEMBL6165557 1.00 CA12 (0.47) CA12CA1CA9CA2ZDHHC20
SCHEMBL6162339 1.00 CA12 (0.47) CA12CA1CA9CA2ZDHHC20
SCHEMBL6164439 1.00 CA12 (0.47) CA12CA1CA9CA2ZDHHC20
SCHEMBL6163385 0.98 CA12 (0.45) CA12CA1CA9CA2ZDHHC20
SCHEMBL5209092 0.91 CA1 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL5206242 0.87 SIGMAR1 (0.49) CA12CA1CA9CA2ZDHHC20
SCHEMBL8860912 0.83 CA12 (0.44) CA12CA1CA9CA2ZDHHC20
SCHEMBL5206297 0.83 CA12 (0.55) CA12CA1CA9CA2MGLL
SCHEMBL28705123 0.83 NPC1 (0.53) CA12CA1CA9CA2ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
US-6825373-B2 REACTING AN AMINOPYRROL DERIVATIVE WITH AND ISOTHIOCYANATOFORMIC ACID ESTER DERIVATIVE TO FORM AN ADDUCT,CYCLIZING THE ADDUCT TO FORM PYRROLOTRIAZIN-4-ONE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 2004-11-30 US disclosed
US-6787502-B2 INCLUSION OF A STRONGLY BASIC BIS-GUANIDINE COMPOUND THAT IS SUPERIOR IN DIFFUSION RESISTANCE; SPECIFIED DIAZONIUM SALT COMPOUND AND A PYRROLO(1,2-A)PYRIMIDINE COUPLER IN RECORDING LAYER FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-20040048185-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD 2004-03-11 US disclosed
US-20030158038-A1 Guanidine compound and heat sensitive recording material FUJI PHOTO FILM CO., LTD. 2003-08-21 US disclosed
US-6600041-B2 Cyclization of an aminopyrrole compound FUJI PHOTO FILM CO., LTD. (JP) 2003-07-29 US disclosed
US-20030077542-A1 Photopolymerizable composition, recording material and image forming method FUJI PHOTO FILM CO., LTD. 2003-04-24 US disclosed
US-20020128479-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound FUJI PHOTO FILM CO., LTD. 2002-09-12 US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 US disclosed
EP-0499266-B1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-10 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO 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-20020128479-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound PPOX, QPCT, DDT CA12 3648/4885CA1 2272/4885CA9 2865/4885

“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.