SCHEMBL5359782

SCHEMBL5359782

CCCCCCCCCCCCNC(CC(=O)O)C(=O)OCCCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX2 P34913 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC22A1 O15245 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
ACHE P22303 6/20 0.37
PAOX Q6QHF9 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1801127 0.89 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL17117556 0.79 ACHE (0.44) ACHE
SCHEMBL1454465 0.77 DNM1 (0.40) ACHE
SCHEMBL8084072 0.76 EPHX2 (0.41) EPHX2NPSR1ACHEALDH1A1
SCHEMBL30872097 0.76 EPHX1 (0.45) ACHE
SCHEMBL27812694 0.75 EPHX1 (0.44) LMNAACHE
SCHEMBL38663205 0.75 NPC1 (0.42) LMNASIRT2ACHESMN1; SMN2SIRT1
SCHEMBL38665201 0.75 ACHE (0.45) EPHX2ACHESMN1; SMN2
SCHEMBL5359786 0.74 EPHX2 (0.35) EPHX2MEN1KMT2ANPSR1LMNA
SCHEMBL7626586 0.74 EPHX2 (0.50) EPHX2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795435-A Soluble package of pre-dosed powdered hair bleach 莱雅公司 2021-12-14 CN disclosed
WO-2017108618-A1 DYEING COMPOSITION COMPRISING AT LEAST 30% SURFACTANTS L'OREAL (FR) 2017-06-29 WO disclosed
WO-2017108619-A1 OXIDIZING COMPOSITION COMPRISING AT LEAST 30% SURFACTANTS L'OREAL (FR) 2017-06-29 WO disclosed
WO-2017102650-A1 DEVICE FOR DISPENSING A PRODUCT FOR DYEING AND/OR LIGHTENING KERATIN FIBRES COMPRISING AN ASSOCIATIVE POLYMER L'OREAL (FR) 2017-06-22 WO disclosed
WO-2017102651-A1 DEVICE FOR DISPENSING A PRODUCT FOR DYEING AND/OR LIGHTENING KERATIN FIBRES COMPRISING A CATIONIC POLYMER L'OREAL (FR) 2017-06-22 WO disclosed
WO-2017102653-A1 DEVICE FOR DISPENSING A PRODUCT FOR DYEING AND/OR LIGHTENING KERATIN FIBRES COMPRISING AT LEAST 7% OF SURFACTANTS L'OREAL (FR) 2017-06-22 WO disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US disclosed
US-9125834-B2 Dye composition comprising a heterocyclic oxidation base and a 4-aminoindole coupler L'OREAL (FR) 2015-09-08 US disclosed
US-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2014-09-18 US disclosed
CN-103547249-A Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler OREAL 2014-01-29 CN disclosed
EP-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP disclosed
EP-2651386-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'Oréal (FR) 2013-10-23 EP disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080287-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
US-7294152-B2 Dyeing composition comprising at least one fluorindine compound for the dyeing of keratinic fibers, dyeing process comprising the composition and compound L'OREAL S.A. (FR) 2007-11-13 US disclosed
US-20050188475-A1 Dyeing composition comprising at least one fluorindine compound for the dyeing of keratinic fibers, dyeing process comprising the composition and compound L'OREAL S.A. (FR) 2005-09-01 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-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER KRT18, NDUFS5, NDUFS3 CHRM2 3226/4885CHRM4 3102/4885CHRM1 3338/4885
US-20050188475-A1 Dyeing composition comprising at least one fluorindine compound for the dyeing of keratinic fibers, dyeing process comprising the composition and compound KRT18, FLNA, FLNB CHRM2 3037/4885CHRM4 2649/4885CHRM1 2703/4885

“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.