SCHEMBL3314693

SCHEMBL3314693

CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46

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
Hydrochloric Acid SCHEMBL10872221 0.99 GAA (0.53) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL11152353 0.99 GAA (0.53) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL7026130 0.97 GAA (0.52) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL7026128 0.97 GAA (0.52) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL8415162 0.97 GAA (0.52) GAAMAPTKDM4EALDH1A1MEN1
Fluoride Ion SCHEMBL11152351 0.97 GAA (0.52) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL11332195 0.96 GAA (0.51) GAAMAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL8415161 0.96 GAA (0.51) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL11141930 0.95 GAA (0.50) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL8353093 0.95 GAA (0.50) GAAMAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-8012220-B2 Specific monocationic monochromophoric compounds of hydrazone type comprising a 2-, 4-pyridinium or 2-, 4-quinolinium unit, synthesis thereof, dye compositions containing them, and method for dyeing keratin fibres L'OREAL S.A. (FR) 2011-09-06 US disclosed
CN-101003499-B Novel color former and recording material ASAHI CHEMICAL IND 2011-01-19 CN disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
US-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'OREAL S.A. (FR) 2009-12-10 US disclosed
CN-101003499-A Novel color former and recording material ASAHI CHEMICAL IND (JP) 2007-07-25 CN disclosed
CN-1303064-C Novel color-developing composition and recording material ASAHI CHEMICAL IND (JP) 2007-03-07 CN disclosed
CN-1496346-A Novel color-developing composition and recording material 旭化成株式会社 2004-05-12 CN disclosed
US-4770973-A READABLE BY OPTICAL DEVICES AND FIXED BY LIGHT Kanzaki Paper Manufacturing Limited (JP) 1988-09-13 US disclosed
EP-0080241-B1 DIAZOTYPE MATERIAL Océ-Nederland B.V. (NL) 1987-09-09 EP disclosed
US-4659643-A A PHENOXY COMPOUND KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1987-04-21 US disclosed
US-4511642-A Photo-fixing heat-sensitive recording media with photosensitive diazonium salt, coupler, and organic boron salt NIPPON TELEGRAPH AND TELEPHONE PUBLIC CORP. (JP) 1985-04-16 US disclosed
US-4471043-A Diazotype material Oc/e/ -Nederland B.V. (NL) 1984-09-11 US disclosed
US-4396700-A Process for forming an image FUJI PHOTO FILM CO., LTD. (JP) 1983-08-02 US disclosed
EP-0080241-A2 Diazotype material Océ-Nederland B.V. (NL) 1983-06-01 EP disclosed
US-4334006-A PHOTOSENSITIVE COMPOSITION CONTAINING AN O-QUINONE DIAZIDE COMPOUND AND A THERMOPLASTIC BINDER FUJI PHOTO FILM CO., LTD. (JP) 1982-06-08 US disclosed
US-4210711-A Process for forming an image FUJI PHOTO FILM CO., LTD. (JP) 1980-07-01 US disclosed
US-4055425-A DIAZOIMINO COMPOUND GAF CORPORATION (US) 1977-10-25 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 (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-20090300856-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-5 GAA 4566/4885MAPT 2118/4885KDM4E 155/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 GAA 3815/4885MAPT 747/4885KDM4E 1348/4885

“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.