SCHEMBL209618

SCHEMBL209618

O=[N+]([O-])c1c(NCCO)ccc(NCCO)c1NCCO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 7/20 0.48
MEN1 O00255 2/20 0.48
PKM P14618 1/20 0.43
GAA P10253 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
POLB P06746 3/20 0.40
KAT2B Q92831 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
GSTM2 P28161 1/20 0.39

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
SCHEMBL1996936 0.94 RAB9A (0.53) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL9372411 0.91 RAB9A (0.53) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL3184571 0.86 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL29452912 0.86 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL5912889 0.85 RAB9A (0.49) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL1815585 0.85 RAB9A (0.49) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL16210829 0.83 RAB9A (0.47) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL4619073 0.82 KAT2B (0.51) RAB9AALDH1A1TSHRTDP1KMT2A
Hydrochloric Acid SCHEMBL5063788 0.81 KAT2B (0.54) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL15019998 0.79 RAB9A (0.46) RAB9AALDH1A1TSHRTDP1KMT2A

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 378 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SYMRISE AG (DE) 2023-07-11 US disclosed
US-11691035-B2 Oxidizing composition for the treatment of keratin fibers comprising at least one cationic polymer, at least one fatty amide and at least one anti-oxygen agent L'OREAL (FR) 2023-07-04 US disclosed
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT L'OREAL (FR) 2023-03-02 US disclosed
EP-3389622-B1 OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS OREAL (FR) 2023-01-04 EP disclosed
US-11246814-B2 Oxidizing composition for treating keratin materials, comprising a fatty substance and oxyalkylenated surfactants L'OREAL (FR) 2022-02-15 US disclosed
EP-3544576-B1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE OREAL (FR) 2021-08-18 EP disclosed
US-10765612-B2 Dye composition comprising 12-hydroxystearic acid, an organic amine and a dye L'OREAL (FR) 2020-09-08 US disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-08-14 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 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 (9 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 RAB9A 4615/4885ALDH1A1 2065/4885TSHR 4818/4885
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 RAB9A 4058/4885ALDH1A1 1651/4885TSHR 4043/4885
US-10765612-B2 Dye composition comprising 12-hydroxystearic acid, an organic amine and a dye CD44, DHCR7, HAAO RAB9A 2807/4885ALDH1A1 170/4885TSHR 3074/4885
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT KRT18, ACR, MUC1 RAB9A 3929/4885ALDH1A1 1870/4885TSHR 2201/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 RAB9A 4251/4885ALDH1A1 188/4885TSHR 4670/4885
US-11246814-B2 Oxidizing composition for treating keratin materials, comprising a fatty substance and oxyalkylenated surfactants KRT18, OAT, PLOD3 RAB9A 3492/4885ALDH1A1 629/4885TSHR 2666/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 RAB9A 3790/4885ALDH1A1 1914/4885TSHR 4575/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E RAB9A 3881/4885ALDH1A1 1615/4885TSHR 4749/4885
US-11691035-B2 Oxidizing composition for the treatment of keratin fibers comprising at least one cationic polymer, at least one fatty amide and at least one anti-oxygen agent KRT18, OAT, CUTA RAB9A 4599/4885ALDH1A1 825/4885TSHR 4460/4885

“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.