SCHEMBL4076676

SCHEMBL4076676

CCCCCC(=O)Oc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.46
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TOP2A P11388 2/20 0.43
HTT P42858 1/20 0.43
ESR1 P03372 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
BACE1 P56817 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
SCHEMBL7827434 0.84 PLA2G4B (0.53) ESR1
SCHEMBL2538773 0.82 GAA (0.58) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL31312898 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL3663773 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL4304737 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL1918538 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL991982 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL2535107 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL11622337 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL475206 0.81 GAA (0.60) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638590-B2 Polyhydroxyalkanoate having amide, sulfonic acid or sulfonate ester group, charge control agent and toner CANON KABUSHIKI KAISHA (JP) 2009-12-29 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-7393912-B2 Polyhydroxyalkanoate containing amide group, sulfonic group, and sulfonate ester group, method for producing the same, and charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2008-07-01 US disclosed
US-20060287473-A1 Novel polyhydroxyalkanoate having amide, sulfonic acid or sulfonate ester group, charge control agent and toner CANON KABUSHIKI KAISHA (JP) 2006-12-21 US disclosed
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response CANON KABUSHIKI KAISHA (JP) 2006-11-23 US disclosed
EP-1579277-B1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KK (JP) 2006-09-06 EP disclosed
EP-1579276-B1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KK (JP) 2006-08-09 EP disclosed
US-20060014921-A1 Polyhydroxyalkanoate containing amide group, sulfonic group, and sulfonate ester group, method for producing the same, and charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2006-01-19 US disclosed
EP-1579276-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2005-09-28 EP disclosed
EP-1579277-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS Canon Kabushiki Kaisha (JP) 2005-09-28 EP disclosed
US-6861496-B2 Polyhydroxyalkonoate and method of producing same, and ω-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2005-03-01 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed
WO-2004061530-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
US-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA 2004-04-01 US disclosed
US-6686439-B2 POLYHYDROXYALKANOATE FOR USE IN CULTURING MICROORGANISMS CANON KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20020164726-A1 Polyhydroxyalkanoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-11-07 US disclosed
EP-1236754-A2 Polyhydroxyalkanoate and method of producing same, and omega-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-09-04 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 (2 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-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same HACL2, PAH, TST KMT2A 1966/4885SMN1; SMN2 4866/4885ALOX15 182/4885
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response SKP1, HAMP, AUP1 KMT2A 3735/4885SMN1; SMN2 3508/4885ALOX15 439/4885

“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.