SCHEMBL2265157

SCHEMBL2265157

Oc1ccc(O)c2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 2/20 0.39
HTR2A P28223 2/20 0.39
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 3/20 0.39
PSMB5 P28074 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PIM1 P11309 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALOX5 P09917 1/20 0.32
IDO1 P14902 1/20 0.32
INSR P06213 2/20 0.32
IGF1R P08069 2/20 0.32
SRC P12931 2/20 0.32
APP P05067 1/20 0.30

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
SCHEMBL15688428 0.85 AOC3 (0.37) AOC3DRD2DRD3DRD1HTR2A
SCHEMBL4860941 0.85 MAOB (0.38) AOC3DRD2DRD3DRD1HTR2A
SCHEMBL3077219 0.81 DRD2 (0.53) AOC3DRD2DRD3DRD1HTR2A
SCHEMBL22853919 0.80 TRIM24 (0.43) AOC3IDO1TDP1KDM4ENPC1
SCHEMBL30705318 0.80 TRIM24 (0.43) AOC3IDO1TDP1KDM4ENPC1
SCHEMBL22854019 0.80 SELL (0.47) AOC3CYP3A4ESR2KDM4CALOX5
SCHEMBL1856618 0.78 ALDH1A1 (0.49) AOC3CYP3A4MAPTTDP1KDM4E
SCHEMBL608552 0.77 TXNRD1 (0.53) DRD2DRD3CYP3A4MAPTTDP1
SCHEMBL12023132 0.75 AOC3 (0.53) AOC3CYP3A4ABCG2KDM4CINSR
SCHEMBL27033249 0.75 AOC3 (0.53) AOC3CYP3A4PSMB5ABCG2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
EP-2175830-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES ORÉAL L (FR) 2015-09-30 EP disclosed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 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 (3 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN AOC3 575/4885DRD2 4066/4885DRD3 3717/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM AOC3 36/4885DRD2 4407/4885DRD3 3481/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 AOC3 1009/4885DRD2 611/4885DRD3 929/4885

“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.