SCHEMBL688642

SCHEMBL688642

CCCN(O)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.51
ALDH3A1 P30838 2/20 0.49
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BACE1 P56817 1/20 0.39
VCAM1 P19320 3/20 0.39
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL182012 0.88 HCAR3 (0.49) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL19611360 0.79 ALDH1A1 (0.54) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL18342758 0.77 HCAR3 (0.56) HCAR3ALDH3A1ALDH1A1MAPTMAPK1
SCHEMBL15049708 0.77 HCAR3 (0.63) HCAR3ALDH1A1KDM4ETDP1MAPT
SCHEMBL9760048 0.76 HCAR3 (0.47) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL9760587 0.74 ALDH1A1 (0.48) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL5821559 0.73 HCAR3 (0.48) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL3380426 0.73 ALDH1A1 (0.47) HCAR3ALDH3A1ALDH1A1KDM4ETDP1
SCHEMBL10522565 0.72 SNCA (0.46) ALDH1A1TDP1MAPTBACE1CYP3A4
SCHEMBL1894245 0.72 GPR35 (0.50) HCAR3ALDH3A1ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980205-B Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dye product 江苏省食品药品监督检验研究院 2025-04-22 CN claimed
WO-2025047878-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, UREA AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
US-20240390250-A1 CLEANSING DYE COMPOSITIONS KAO USA INC. (US) 2024-11-28 US claimed
WO-2024049223-A1 COMPOSITION FOR DYEING AND CLEANSING HAIR 애경산업(주) 2024-03-07 WO claimed
WO-2023017035-A1 HAIR COLORING COMPOSITIONS COMPRISING HYDROXYALKYL AMINES AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 WO claimed
CN-114246807-A Acidic hair dye composition 朋友株式会社 2022-03-29 CN claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
US-10667999-B2 Tinting shampoos HENKEL AG & CO. KGAA (DE) 2020-06-02 US claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
US-20050226839-A1 Pepetide-based body surface reagents for personal care E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-13 US claimed
EP-0835093-B1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF & HENKEL GMBH (DE) 2004-03-10 EP claimed
EP-0782845-B1 Hair colorant and hair colorant slurry for dyeing human hair SCHWARZKOPF GMBH HANS (DE) 2002-09-11 EP claimed
EP-0871424-B1 HAIR COLORANT AND APPLICATION MIXTURE FOR COLOURING HUMAN HAIR SCHWARZKOPF GMBH HANS (DE) 2002-08-28 EP claimed
US-6139853-A Hair colorants and an application mixture for coloring human hair HANS SCHWARZKOPF GMBH & CO. KG (DE) 2000-10-31 US claimed
EP-0871424-A1 HAIR COLORANT AND APPLICATION MIXTURE FOR COLOURING HUMAN HAIR Hans Schwarzkopf GmbH & Co. KG (DE) 1998-10-21 EP claimed
EP-0835093-A1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER Hans Schwarzkopf GmbH & Co. KG (DE) 1998-04-15 EP claimed
WO-1997025017-A1 HAIR COLORANT AND APPLICATION MIXTURE FOR COLOURING HUMAN HAIR HANS SCHWARZKOPF GMBH & CO. KG (DE) 1997-07-17 WO claimed
EP-0782845-A1 Hair colorant and hair colorant slurry for dyeing human hair HANS SCHWARZKOPF GmbH (DE) 1997-07-09 EP claimed
WO-1997001323-A1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF GMBH (DE) 1997-01-16 WO claimed

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-20050226839-A1 Pepetide-based body surface reagents for personal care CUTA, GPKOW, NGLY1 HCAR3 2523/4885ALDH3A1 3696/4885ALDH1A1 3566/4885
US-10667999-B2 Tinting shampoos KRT18, PLOD3, TUBB1 HCAR3 3693/4885ALDH3A1 2925/4885ALDH1A1 2284/4885

“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.