SCHEMBL124120

SCHEMBL124120

CC(O)Nc1ccc([N+](=O)[O-])cc1OC(C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GLA P06280 1/20 0.42
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL124625 0.87 HTT (0.63) SMN1; SMN2LMNAALDH1A1HTTPKM
SCHEMBL6003633 0.85 GPR35 (0.52) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL14940853 0.83 CYP19A1 (0.50) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL6163411 0.82 SMN1; SMN2 (0.53) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2022935 0.81 TSHR (0.67) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL28026309 0.81 TSHR (0.67) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11788134 0.79 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1HTTCRHBP
SCHEMBL6156984 0.79 CRHBP (0.65) SMN1; SMN2ALDH1A1HTTCRHBPCRHR2
SCHEMBL11024727 0.79 HTT (0.63) CYP19A1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL5517557 0.79 CXCR2 (0.50) SMN1; SMN2LMNAALDH1A1HTTCRHBP

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 424 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
EP-4362895-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2024-05-08 EP disclosed
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
WO-2023275207-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2023-01-05 WO 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-11344489-B2 Azomethine dye chromophores BASF SE (DE) 2022-05-31 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-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (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 (8 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 CYP19A1 3088/4885SMN1; SMN2 4216/4885LMNA 172/4885
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 CYP19A1 737/4885SMN1; SMN2 1579/4885LMNA 2905/4885
US-11344489-B2 Azomethine dye chromophores KRT18, IK, JUP CYP19A1 1554/4885SMN1; SMN2 4303/4885LMNA 333/4885
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 CYP19A1 1309/4885SMN1; SMN2 2197/4885LMNA 678/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 CYP19A1 890/4885SMN1; SMN2 4784/4885LMNA 1708/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 CYP19A1 1482/4885SMN1; SMN2 4761/4885LMNA 276/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E CYP19A1 2127/4885SMN1; SMN2 4685/4885LMNA 1300/4885
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 CYP19A1 1054/4885SMN1; SMN2 4607/4885LMNA 1160/4885

“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.