SCHEMBL4258349

SCHEMBL4258349

COc1cc(C#N)c(C#N)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
IMPDH2 P12268 1/20 0.54
IMPDH1 P20839 1/20 0.54
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
AR P10275 9/20 0.47
ACHE P22303 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL1343373 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2761994 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL14316188 0.87 KDM4E (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL12147466 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL12147725 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL10541124 0.85 AR (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL7980232 0.84 KDM4E (0.46) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL30266491 0.84 TRPV4 (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL82833 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL10537256 0.84 TRPV4 (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12203883-B2 Conductive bimetallic metal-organic frameworks for the detection of analytes TRUSTEES OF DARTMOUTH COLLEGE (US) 2025-01-21 US disclosed
US-20210310971-A1 CONDUCTIVE BIMETALLIC METAL-ORGANIC FRAMEWORKS FOR THE DETECTION OF ANALYTES TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-10-07 US disclosed
US-20140170073-A1 NANOPARTICULATE PROBE FOR IN VIVO MONITORING OF TISSUE OXYGENATION THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-19 US disclosed
US-8574463-B2 Metal complex dye, photoelectric conversion element and dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2013-11-05 US disclosed
US-8574463-B2 Metal complex dye, photoelectric conversion element and dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2013-11-05 US disclosed
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 US disclosed
US-20130087203-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2013-04-11 US disclosed
US-20130087203-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2013-04-11 US disclosed
US-8066973-B2 Nanoparticulate probe for in vivo monitoring of tissue oxygenation THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
EP-1049117-B1 Ruthenium complex dye FUJIFILM CORP (JP) 2011-11-02 EP disclosed
CN-1250471-A Photochemical singlet oxygen generators having enhanced singlet oxygen yields PROCTER & GAMBLE (US) 2000-04-12 CN disclosed
EP-0968267-A2 PHOTOCHEMICAL SINGLET OXYGEN GENERATORS HAVING CATIONIC SUBSTANTIVITY MODIFIERS THE PROCTER & GAMBLE COMPANY (US) 2000-01-05 EP disclosed
EP-0960184-A2 PHOTOBLEACHING COMPOSITIONS COMPRISING MIXED METALLOCYANINES THE PROCTER & GAMBLE COMPANY (US) 1999-12-01 EP disclosed
EP-0960183-A2 PHOTOCHEMICAL SINGLET OXYGEN GENERATORS HAVING ENHANCED SINGLET OXYGEN YIELDS THE PROCTER & GAMBLE COMPANY (US) 1999-12-01 EP disclosed
WO-1998032825-A2 PHOTOCHEMICAL SINGLET OXYGEN GENERATORS HAVING ENHANCED SINGLET OXYGEN YIELDS THE PROCTER & GAMBLE COMPANY (US) 1998-07-30 WO disclosed
WO-1998032828-A2 PHOTOCHEMICAL SINGLET OXYGEN GENERATORS HAVING CATIONIC SUBSTANTIVITY MODIFIERS THE PROCTER & GAMBLE COMPANY (US) 1998-07-30 WO disclosed
WO-1998032826-A2 PHOTOBLEACHING COMPOSITIONS COMPRISING MIXED METALLOCYANINES THE PROCTER & GAMBLE COMPANY (US) 1998-07-30 WO disclosed
EP-0352182-B1 OCTASUBSTITUTED LITHIUM PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN EPR COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-05-05 EP disclosed
US-4996311-A Crystal structure, stability COMMISSARIAT A. L'ENERGIE ATOMIQUE (FR) 1991-02-26 US disclosed
EP-0352182-A1 Octasubstituted lithium phthalocyanines, process for their preparation and their use in EPR COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-01-24 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-20140170073-A1 NANOPARTICULATE PROBE FOR IN VIVO MONITORING OF TISSUE OXYGENATION LPO, TNNC1, PPOX ALDH1A1 3305/4885KDM4E 1520/4885USP2 3790/4885
US-20130087203-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL L1CAM, LSG1, CRY1 ALDH1A1 227/4885KDM4E 2553/4885USP2 4432/4885

“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.