SCHEMBL15020242

SCHEMBL15020242

CCN(CCO)C1=CC(=O)C(Nc2cc(C)c(N)cc2OC)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ HTR4 Q13639 2/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL15039274 0.89 KDR (0.38) KDRMEN1APAF1CASP3KMT2A
SCHEMBL15039273 0.88 S100B (0.31) —
SCHEMBL17751331 0.84 — —
SCHEMBL15020967 0.80 MAPT (0.33) KDRCRHR1CYP1A2CYP2D6ALDH1A1
SCHEMBL15039277 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL15020267 0.78 — —
SCHEMBL17745050 0.78 CASP3 (0.37) KDRALDH1A1HTR4MEN1APAF1
SCHEMBL11383936 0.76 MEN1 (0.39) KDRALDH1A1LMNAMEN1APAF1
SCHEMBL15039281 0.76 — —
SCHEMBL15039279 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP claimed
EP-2791106-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-10-22 — — EP claimed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO claimed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
US-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 — — US disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 — — US disclosed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO 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-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 KDR 3778/4885CRHR1 4430/4885CYP1A2 1006/4885

“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.

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