SCHEMBL2201889

SCHEMBL2201889

Cc1ccc(O)c(NCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TRPA1 O75762 1/20 0.45
KCNMA1 Q12791 2/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
CXCR2 P25025 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL8445455 0.89 CYP19A1 (0.50) GAAKDM4EHSD17B10ALDH1A1TRPA1
SCHEMBL5271027 0.85 KMT2A (0.46) GAAKDM4EHSD17B10ALDH1A1TRPA1
SCHEMBL28091170 0.85 IDO1 (0.51) GAAHSD17B10ALDH1A1TRPA1KCNMA1
SCHEMBL11474259 0.82 GUCY1A1 (0.54) GAAKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL2901815 0.80 PLK1 (0.46) GAATRPA1KCNMA1TDP1
SCHEMBL30086871 0.80 CYP3A4 (0.50) GAAHSD17B10ALDH1A1TRPA1KCNMA1
SCHEMBL1259060 0.80 CYP3A4 (0.50) GAAHSD17B10ALDH1A1TRPA1KCNMA1
SCHEMBL15292156 0.79 KDM4E (0.44) GAAKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL18647897 0.79 KDM4E (0.44) GAAKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL3875798 0.78 KMT2A (0.60) GAAKDM4EHSD17B10ALDH1A1TP53

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-1496849-B2 COMPOSITION FOR THE OXIDATION DYEING OF HUMAN KERATINOUS FIBRES OREAL (FR) 2019-03-27 EP disclosed
US-9402797-B2 Multi-tonal one step dyes III HENKEL AG & CO. KGAA (DE) 2016-08-02 US disclosed
US-20150374602-A1 MULTI-TONAL ONE STEP DYES III HENKEL AG & CO. KGAA (DE) 2015-12-31 US disclosed
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2011-07-07 US disclosed
US-7476261-B2 vivid color to hair without causing decomposition of the direct azo dye; excellent fastness to light, wash, sweat, friction and heat; stable to alkalizing agents and oxidizing agents; 4-azo-2,1,3-BENZOTHIADIAZOLE dyes KAO CORPORATION (JP) 2009-01-13 US disclosed
US-20080134448-A1 Hair Dye Composition KAO CORPORATION (JP) 2008-06-12 US disclosed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
EP-1377974-A1 OPTICAL DATA CARRIER CONTAINING A XANTHENE DYE IN THE INFORMATION LAYER THEREOF AS A LIGHT-ABSORBING COMPOUND Bayer Chemicals AG (DE) 2004-01-07 EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
WO-2002077984-A1 OPTICAL DATA CARRIER CONTAINING A XANTHENE DYE IN THE INFORMATION LAYER THEREOF AS A LIGHT-ABSORBING COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 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 (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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B GAA 4684/4885KDM4E 1476/4885HSD17B10 1556/4885
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES KRT18, CBR3, ACOX3 GAA 1991/4885KDM4E 2152/4885HSD17B10 427/4885
US-20080134448-A1 Hair Dye Composition MC1R, CYB5R3, MC5R GAA 4840/4885KDM4E 1418/4885HSD17B10 823/4885

“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.