SCHEMBL15020452

SCHEMBL15020452

O=C1C=C(Nc2ccc(O)c(Cl)c2)C(=O)C=C1NCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.42
▸ CYP19A1 P11511 1/20 0.39
▸ GSK3B P49841 5/20 0.38
▸ STK10 O94804 3/20 0.38
▸ SLK Q9H2G2 3/20 0.38
▸ BCL6 P41182 2/20 0.37
▸ BCOR Q6W2J9 1/20 0.37
▸ CDK1 P06493 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ APP P05067 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 2/20 0.34

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
SCHEMBL15020963 0.77 APP (0.40) DNM1CYP19A1BCL6BCORCDK1
SCHEMBL11388748 0.77 DNM1 (0.47) DNM1GSK3BSTK10SLKCDK1
SCHEMBL15020450 0.77 DNM1 (0.39) DNM1GSK3BSTK10SLKCDK1
SCHEMBL17745046 0.77 DNM1 (0.39) DNM1GSK3BSTK10SLKBCL6
SCHEMBL15039426 0.74 DNM1 (0.37) DNM1GSK3BSTK10SLKCDK1
SCHEMBL11784246 0.73 DNM1 (0.42) DNM1GSK3BSTK10SLKCDK1
SCHEMBL15022768 0.72 DNM1 (0.71) DNM1LMNAMAPTHTTPOLB
SCHEMBL15039580 0.72 DNM1 (0.42) DNM1GSK3BSTK10SLKCDK1
SCHEMBL15020067 0.72 DNM1 (0.42) DNM1GSK3BSTK10SLKCDK1
SCHEMBL15020065 0.72 DNM1 (0.42) DNM1GSK3BSTK10SLKCDK1

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 5 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 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
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 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 DNM1 961/4885CYP19A1 673/4885GSK3B 1103/4885

“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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