SCHEMBL109663

SCHEMBL109663

CNc1ccc(NCCCO)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HCAR3 P49019 3/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KAT2B Q92831 3/20 0.46
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
MAPT P10636 3/20 0.45
PRSS1 P07477 3/20 0.45
GSTM2 P28161 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9776301 0.92 HTT (0.61) HTTHCAR3ALDH1A1TSHRTDP1
SCHEMBL8645160 0.90 ALDH1A1 (0.57) HCAR3ALDH1A1TSHRTDP1KAT2B
SCHEMBL11771596 0.89 KAT2B (0.52) HTTHCAR3ALDH1A1TSHRTDP1
SCHEMBL12514851 0.87 HTT (0.51) HTTHCAR3ALDH1A1TSHRTDP1
SCHEMBL7031913 0.87 ALDH1A1 (0.61) HCAR3ALDH1A1TSHRTDP1KAT2B
SCHEMBL8645124 0.87 ALDH1A1 (0.61) HCAR3ALDH1A1TSHRTDP1KAT2B
SCHEMBL11780708 0.85 HTT (0.64) HTTHCAR3ALDH1A1TSHRTDP1
SCHEMBL2469818 0.85 KAT2B (0.58) HTTHCAR3ALDH1A1KAT2BMAPT
SCHEMBL11773204 0.84 HTT (0.58) HTTHCAR3ALDH1A1TDP1KAT2B
SCHEMBL8641240 0.83 MAPT (0.54) HCAR3ALDH1A1TSHRTDP1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP disclosed
EP-2044977-B1 Hair dye with oxidative pre-treatment HENKEL AG & CO KGAA (DE) 2018-02-14 EP disclosed
EP-2324811-B1 Foam-like dye HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-2802383-B1 USE OF PROPYLENE OXIDE-MODIFIED STARCH FOR IMPROVING ARTIFICIAL COLOURING OF KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 EP disclosed
US-9161898-B2 Compositions for colouring keratin fibres HENKEL AG & CO. KGAA (DE) 2015-10-20 US disclosed
EP-2930126-A1 Fashionable aerosol dye Henkel AG & Co. KGaA (DE) 2015-10-14 EP disclosed
EP-1944010-B1 Brightening and/or colouring agent with acrylic acid derivative(s) HENKEL AG & CO KGAA (DE) 2015-03-11 EP disclosed
EP-2802383-A2 USE OF PROPYLENE OXIDE-MODIFIED STARCH FOR IMPROVING ARTIFICIAL COLOURING OF KERATIN FIBRES Henkel AG&Co. KGAA (DE) 2014-11-19 EP disclosed
US-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2014-10-02 US disclosed
EP-1358929-A2 Method for the production of hair or skin cosmetic products using apparatus with microstructures Wella Aktiengesellschaft (DE) 2003-11-05 EP disclosed
WO-2003084491-A1 METHOD FOR TREATING HAIR WITH FORM MEMORY POLYMERS MNEMOSCIENCE GMBH (DE) 2003-10-16 WO disclosed
WO-2003082823-A2 PRO-DYES CONTAINING COMPOSITIONS FOR DYEING KERATINOUS FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed
EP-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed
EP-1002516-B1 Hair dyes containing indan derivatives WELLA AG (DE) 2003-09-24 EP disclosed
US-6485529-B1 Agent and method for coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-1143923-A1 AGENT AND METHOD FOR COLOURING FIBRES Wella Aktiengesellschaft (DE) 2001-10-17 EP disclosed
US-6231622-B1 MIXTURES; BLUE COLOR WELLA AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
WO-2001028507-A1 AGENT AND METHOD FOR COLOURING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-04-26 WO disclosed
EP-1002516-A1 Hair dyes containing indan derivatives Wella Aktiengesellschaft (DE) 2000-05-24 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 (1 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-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES KRT18, DSG1, PKN1 HTT 1802/4885HCAR3 4494/4885ALDH1A1 2922/4885

“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.