SCHEMBL2268415

SCHEMBL2268415

Cc1coc2ccc(C(C)(C)C)c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CA2 P00918 3/20 0.41
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CA1 P00915 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX12 P18054 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2269352 0.79 ALDH1A1 (0.37) CYP1A2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL22349066 0.76
SCHEMBL4424706 0.73 ALDH2 (0.35) ALDH1A1POLBHTTKDM4E
SCHEMBL9868331 0.71 CYP2C9 (0.44) GABRA1GABRB2CA2CYP1A2CYP2C9
SCHEMBL2269577 0.71 ALDH1A1 (0.37) GABRA1GABRB2CA2CYP1A2CYP2C9
SCHEMBL2271914 0.70 ALOX5 (0.44) ALDH1A1SMN1; SMN2POLBTYRTSHR
SCHEMBL47580 0.68 CA2 (0.68) GABRA1GABRB2CA2CYP1A2CYP2C9
SCHEMBL30938109 0.68 CA2 (0.68) GABRA1GABRB2CA2CYP1A2CYP2C9
SCHEMBL3461711 0.68 GABRA1 (0.64) GABRA1GABRB2CA2CYP1A2CYP2C9
SCHEMBL9869198 0.67 EDNRA (0.47) GABRA1GABRB2CA2ALDH1A1SMN1; SMN2

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
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 EP claimed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US claimed
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-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US disclosed
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 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 (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-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 GABRA1 3873/4885GABRB2 4195/4885CA2 1354/4885
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 GABRA1 4724/4885GABRB2 4652/4885CA2 1055/4885

“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.