SCHEMBL1138933

SCHEMBL1138933

C=C(CC)C(=O)O.CCCCOP(=O)(O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
LPAR3 Q9UBY5 5/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR2 Q9HBW0 3/20 0.43
P2RY10 O00398 8/20 0.40
GPR34 Q9UPC5 3/20 0.40

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
SCHEMBL1139628 0.88 CYP3A4 (0.42) CYP3A4LPAR3LPAR1LPAR2P2RY10
Methacrylic Acid SCHEMBL2481844 0.86 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2P2RY10
Itaconate SCHEMBL8668719 0.83 ALOX15 (0.39) CYP3A4LPAR3LPAR1LPAR2P2RY10
Diethyl Hydrogen Phosphate SCHEMBL1138929 0.82 PPARD (0.36)
SCHEMBL29177519 0.81 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2P2RY10
SCHEMBL26559 0.81 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2P2RY10
SCHEMBL15389152 0.81 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2P2RY10
Methacrylic Acid SCHEMBL29259530 0.79 LPAR3 (0.56) LPAR3LPAR1LPAR2P2RY10GPR34
Benzene SCHEMBL27735295 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL945567 0.79 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2P2RY10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9778583-B2 Toner and imaging method CANON KABUSHIKI KAISHA (JP) 2017-10-03 US disclosed
EP-2172811-B1 NON-MAGNETIC TONER CANON KK (JP) 2017-01-18 EP disclosed
EP-2151718-B1 Developer bearing member and process for producing same, development apparatus and development method CANON KK (JP) 2016-04-13 EP disclosed
US-20160041482-A1 TONER AND IMAGING METHOD CANON KABUSHIKI KAISHA (JP) 2016-02-11 US disclosed
EP-2136252-B1 TONER CANON KK (JP) 2013-11-27 EP disclosed
US-8546051-B2 Developer bearing member and process for producing same, development apparatus and development method CANON KABUSHIKI KAISHA (JP) 2013-10-01 US disclosed
CN-101639649-B Developer bearing member and process for producing same, development apparatus and development method CANON KK 2012-08-08 CN disclosed
EP-1734082-B1 MONOAZO/IRON COMPLEX COMPOUND, CHARGE CONTROL AGENT COMPRISING THE SAME, AND TONER HODOGAYA CHEMICAL CO LTD (JP) 2011-10-19 EP disclosed
EP-1253160-B1 Electrophotographic encapsulated toner particles and method for making them CANON KK (JP) 2011-02-23 EP disclosed
US-7745088-B2 Non-magnetic toner CANON KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-20090117483-A1 TONER CANON KABUSHIKI KAISHA (JP) 2009-05-07 US disclosed
US-7402369-B2 Mono azo iron complex compound, and charge controlling agent and toner using the same HODOGAYA CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070020547-A1 Mono azo iron complex compound, and charge controlling agent and toner using the same HODOGAYA CHEMICAL CO., LTD. 2007-01-25 US disclosed
US-7153622-B2 Polyhydroxyalkanate overcoating a coloring agent CANON KABUSHIKI KAISHA (JP) 2006-12-26 US disclosed
EP-1734082-A1 MONOAZO/IRON COMPLEX COMPOUND, CHARGE CONTROL AGENT COMPRISING THE SAME, AND TONER Hodogaya Chemical Co., Ltd. (JP) 2006-12-20 EP disclosed
US-20040259026-A1 Polyhydroxyalkanate overcoating a coloring agent CANON KABUSHIKI KAISHA (JP) 2004-12-23 US disclosed
US-20030104302-A1 Construct and method for making it LASALLE BANK NATIONAL ASSOCIATION 2003-06-05 US disclosed
EP-1253160-A2 Construct and method for making it CANON KABUSHIKI KAISHA (JP) 2002-10-30 EP disclosed
US-4973541-A LOW PRESSURE, LOW TEMPERATURE FIXING MINOLTA CAMERA KABUSHIKI KAISHA 1990-11-27 US disclosed
US-4968577-A FOR PRESSURE FIXATION MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1990-11-06 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-20070020547-A1 Mono azo iron complex compound, and charge controlling agent and toner using the same CA2, ASH2L, SLC40A1 CYP3A4 1904/4885LPAR3 3445/4885LPAR1 1662/4885

“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.