SCHEMBL9692976

SCHEMBL9692976

CNc1c(OC)cc(OC)c(N)c1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.35
GAA P10253 3/20 0.35
CYP3A4 P08684 1/20 0.34
CA9 Q16790 1/20 0.34
EP300 Q09472 1/20 0.34
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NQO2 P16083 1/20 0.33

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 SCHEMBL9757612 0.98 KDM4E (0.39) KDM4EPOLBMAPTNPSR1ACHE
SCHEMBL17998034 0.85 POLB (0.38) KDM4EPOLBMAPTNPSR1ACHE
SCHEMBL8036573 0.80 MAPT (0.48) KDM4EPOLBMAPTNPSR1ACHE
Hydrochloric Acid SCHEMBL10426497 0.78 MAPT (0.46) KDM4EPOLBMAPTNPSR1ACHE
SCHEMBL9348395 0.76 KDM4E (0.55) KDM4EPOLBMAPTNPSR1ACHE
SCHEMBL9694188 0.75 TNF (0.38) KDM4EPOLBMAPTNPSR1GAA
Hydrochloric Acid SCHEMBL9757671 0.74 TNF (0.37) KDM4EPOLBGAATSHRMAPK1
SCHEMBL9826944 0.72 IDO1 (0.42) POLBMAPTNPSR1GAACYP3A4
SCHEMBL27358216 0.72 KDM4E (0.33) KDM4EPOLB
SCHEMBL22513203 0.72 KDM4E (0.33) KDM4EPOLBMAPTNPSR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP claimed
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP claimed
US-5002585-A HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES L'OREAL (FR) 1991-03-26 US claimed
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 EP claimed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
US-9585824-B2 Dye composition using at least one coupler of meta-phenylenediamine type substituted in position 2 in a medium comprising a fatty substance, processes and device L'OREAL (FR) 2017-03-07 US disclosed
US-9585824-B2 Dye composition using at least one coupler of meta-phenylenediamine type substituted in position 2 in a medium comprising a fatty substance, processes and device L'OREAL (FR) 2017-03-07 US disclosed
US-20150374601-A1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE L'OREAL (FR) 2015-12-31 US disclosed
US-20150374601-A1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE L'OREAL (FR) 2015-12-31 US disclosed
WO-2014118234-A2 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE L'OREAL (FR) 2014-08-07 WO disclosed
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP disclosed
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 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 (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-20150374601-A1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE KRT18, FABP4, FABP2 KDM4E 2364/4885POLB 984/4885MAPT 1094/4885

“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.