SCHEMBL4081342

SCHEMBL4081342

CCCCCC(=O)Oc1cc(O)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
HTT P42858 1/20 0.43
AKR1B1 P15121 1/20 0.43
AR P10275 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
POLM Q9NP87 1/20 0.41
POLK Q9UBT6 1/20 0.41
POLL Q9UGP5 1/20 0.41
POLH Q9Y253 1/20 0.41
TOP2A P11388 2/20 0.41
HSD17B3 P37058 5/20 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
SCHEMBL11674325 0.79 CNR2 (0.51) ALOX15CNR2CNR1HTTKDM4E
SCHEMBL11111242 0.77 KDM4E (0.60) ALOX15ALDH1A1HPGDKDM4EMEN1
SCHEMBL10429211 0.77 ALDH1A1 (0.52) ALDH1A1HPGDARMEN1KMT2A
SCHEMBL5822064 0.77 KDM4E (0.51) ALOX15CNR2CNR1HTTKDM4E
SCHEMBL3946747 0.77 CNR2 (0.67) ALOX15ALDH1A1CNR2CNR1HTT
SCHEMBL9512905 0.76 ALOX15 (0.52) ALOX15ALDH1A1HPGDAKR1B1KDM4E
SCHEMBL4653966 0.75 ALDH1A1 (0.43) ALDH1A1HPGDAR
SCHEMBL25797727 0.75 ALOX15 (0.52) ALOX15CNR2CNR1HTTKDM4E
SCHEMBL4076676 0.75 KMT2A (0.47) ALOX15ALDH1A1HPGDCNR2CNR1
SCHEMBL9216410 0.75 ALOX15 (0.43) ALOX15ALDH1A1HPGDAKR1B1KDM4E

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-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
EP-1236754-B1 Polyhydroxyalkanoate and method of producing the same, and omega-(2-thienylsulfanyl)alkanoic acid and method of producing the same CANON KK (JP) 2004-04-28 EP 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 ALOX15 182/4885ALDH1A1 885/4885HPGD 329/4885
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 ALOX15 439/4885ALDH1A1 2654/4885HPGD 60/4885

“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.