SCHEMBL688641

SCHEMBL688641

CCC(O)Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.52
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.43
KCNMA1 Q12791 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL129286 0.83 HCAR3 (0.52) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL10890786 0.83 HCAR3 (0.60) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL30128320 0.80 KMT2A (0.53) HCAR3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL10891511 0.80 HCAR3 (0.47) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL10894653 0.79 HCAR3 (0.56) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL28558294 0.79 HCAR3 (0.51) HCAR3KMT2AKCNMA1ALDH1A1L3MBTL1
SCHEMBL10891363 0.78 HCAR3 (0.66) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL6001852 0.77 MAPT (0.51) HCAR3KMT2AMEN1KCNMA1ALDH1A1
SCHEMBL10891879 0.77 HCAR3 (0.41) HCAR3KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2443266 0.77 MAPT (0.63) HCAR3KMT2AMEN1KCNMA1ALDH1A1

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-10639262-B2 Toning shampoo with improved colour performance HENKEL AG & CO. KGAA (DE) 2020-05-05 US claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 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 (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-10639262-B2 Toning shampoo with improved colour performance KRT18, SMURF1, PRKDC HCAR3 2973/4885KMT2A 1620/4885MEN1 4450/4885
US-20050226839-A1 Pepetide-based body surface reagents for personal care CUTA, GPKOW, NGLY1 HCAR3 2523/4885KMT2A 3313/4885MEN1 2698/4885
US-10667999-B2 Tinting shampoos KRT18, PLOD3, TUBB1 HCAR3 3693/4885KMT2A 2937/4885MEN1 3565/4885

“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.