SCHEMBL8403333

SCHEMBL8403333

CCc1ccc(C(=O)O)c(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41

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
SCHEMBL27267409 0.86 HCAR3 (0.43) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL26963219 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1POLB
SCHEMBL30626464 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1POLB
SCHEMBL8827536 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TDP1CYP1A2
SCHEMBL10850512 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL21932523 0.82 TSHR (0.50) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL3785484 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL27622980 0.81 HTT (0.46) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL20594425 0.80 TSHR (0.47) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL1644833 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TDP1GABRP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-3727284-B1 HYDROGEN PEROXIDE FORMULATIONS IN BARRIER LAYER FILMS WITH A SIOX LAYER HENKEL AG & CO KGAA (DE) 2023-06-28 EP disclosed
EP-3634365-A1 HAIR COLORING COMPOSITION WITH IMPROVED SALT TOLERANCE Henkel AG & Co. KGaA (DE) 2020-04-15 EP disclosed
US-10406089-B2 Agents for dyeing keratin fibres, containing at least one dimeric, dicationic azo dye with special substitution pattern HENKEL AG & CO. KGAA (DE) 2019-09-10 US disclosed
EP-3509701-A1 THICKENED OXIDATION AGENT-CONTAINING FORMULATIONS IN PACKAGES COMPOSED OF BARRIER LAYER FILMS II Henkel AG & Co. KGaA (DE) 2019-07-17 EP disclosed
EP-3509564-A1 SURFACTANT-CONTAINING OXIDATION AGENT COMPOSITIONS IN PACKAGES COMPOSED OF BARRIER LAYER FILMS Henkel AG & Co. KGaA (DE) 2019-07-17 EP disclosed
EP-3509702-A1 THICKENED OXIDATION AGENT-CONTAINING FORMULATIONS IN PACKAGES COMPOSED OF BARRIER LAYER FILMS Henkel AG & Co. KGaA (DE) 2019-07-17 EP disclosed
EP-3509703-A1 OIL-CONTAINING OXIDATION AGENT COMPOSITIONS IN PACKAGES COMPOSED OF BARRIER LAYER FILMS Henkel AG & Co. KGaA (DE) 2019-07-17 EP disclosed
EP-3509960-A1 SURFACTANT-CONTAINING OXIDATION AGENT COMPOSITIONS IN PACKAGES COMPOSED OF BARRIER LAYER FILMS IV Henkel AG & Co. KGaA (DE) 2019-07-17 EP disclosed
US-20170266093-A1 AGENTS FOR DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE DIMERIC, DICATIONIC AZO DYE WITH SPECIAL SUBSTITUTION PATTERN HENKEL AG & CO. KGAA (DE) 2017-09-21 US disclosed
US-20170266469-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING AT LEAST ONE DIMERIC, DICATIONIC AZO DYE AND AT LEAST ONE ANIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2017-09-21 US 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-10406089-B2 Agents for dyeing keratin fibres, containing at least one dimeric, dicationic azo dye with special substitution pattern KRT18, DSG1, DSC1 ALDH1A1 707/4885CYP3A4 515/4885ALOX15 822/4885
US-20170266093-A1 AGENTS FOR DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE DIMERIC, DICATIONIC AZO DYE WITH SPECIAL SUBSTITUTION PATTERN KRT18, DSG1, DSC1 ALDH1A1 707/4885CYP3A4 515/4885ALOX15 822/4885
US-20170266469-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING AT LEAST ONE DIMERIC, DICATIONIC AZO DYE AND AT LEAST ONE ANIONIC SURFACTANT KRT18, DSG1, DSC1 ALDH1A1 1126/4885CYP3A4 2298/4885ALOX15 4559/4885

“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.