SCHEMBL3043526

SCHEMBL3043526

CC(O)(Oc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.37
TLR2 O60603 3/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 3/20 0.36
LMNA P02545 2/20 0.35
FBP1 P09467 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
PPARA Q07869 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL11650460 0.89 TLR4 (0.31) TLR4TLR2ALOX5ALDH1A1L3MBTL1
SCHEMBL10712838 0.89 SSTR4 (0.34) TLR4TLR2ALOX5ALDH1A1L3MBTL1
SCHEMBL7221272 0.78 PPARG (0.43) ALOX5ALDH1A1L3MBTL1NPSR1PPARG
SCHEMBL7119237 0.77 ALDH1A1 (0.35) TLR4TLR2ALOX5ALDH1A1NPSR1
SCHEMBL28456805 0.75 ALDH1A1 (0.41) TLR4TLR2ALOX5ALDH1A1LMNA
SCHEMBL3358943 0.74 ALDH1A1 (0.39) TLR4TLR2ALOX5ALDH1A1NPSR1
SCHEMBL29074088 0.73 ALOX5 (0.40) TLR4TLR2ALOX5ALDH1A1PPARG
SCHEMBL17626964 0.73 ALOX5 (0.34) TLR4TLR2ALOX5ALDH1A1L3MBTL1
SCHEMBL693241 0.72 CA4 (0.43) ALDH1A1L3MBTL1PPARGLMNAATM
SCHEMBL675061 0.72 CA4 (0.43) ALDH1A1L3MBTL1PPARGLMNAATM

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
CN-105566119-B The product separator and its separation method of a kind of 2,4 dinitrophenoxy ethanol 湖北航天化学技术研究所 2017-12-15 CN claimed
CN-104130143-B Method for preparing 3-methylamino-4-nitrophenoxyethanol 江苏鼎龙科技有限公司 2017-02-15 CN claimed
US-20260144724-A1 Mixture of at least five surfactants (I1) to (I5) WELLA GERMANY GMBH (DE) 2026-05-28 US disclosed
US-11737964-B2 Hair color toning compositions, methods of use, and kits L'OREAL (FR) 2023-08-29 US disclosed
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS L'OREAL (FR) 2023-03-30 US disclosed
US-20220362137-A1 COMPOSITION COMPRISING A NATURAL DYE, A HYDRAZONO AND/OR AZO CATIONIC SYNTHETIC DIRECT DYE AND AN AROMATIC COMPOUND L'OREAL (FR) 2022-11-17 US disclosed
CN-106554283-B Preparation method of 2, 4-dinitrophenoxyethanol 浙江鼎龙科技有限公司 2018-07-31 CN disclosed
CN-105566119-B The product separator and its separation method of a kind of 2,4 dinitrophenoxy ethanol 湖北航天化学技术研究所 2017-12-15 CN disclosed
CN-106554283-A Preparation method of 2, 4-dinitrophenoxyethanol 浙江鼎龙科技有限公司 2017-04-05 CN disclosed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 US disclosed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 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 (5 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-11737964-B2 Hair color toning compositions, methods of use, and kits CUTA, TAAR5, SHH TLR4 3754/4885TLR2 3713/4885ALOX5 270/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP TLR4 3397/4885TLR2 4054/4885ALOX5 2868/4885
US-20220362137-A1 COMPOSITION COMPRISING A NATURAL DYE, A HYDRAZONO AND/OR AZO CATIONIC SYNTHETIC DIRECT DYE AND AN AROMATIC COMPOUND KRT18, F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TLR4 2349/4885TLR2 3683/4885ALOX5 1203/4885
US-20260144724-A1 Mixture of at least five surfactants (I1) to (I5) DEGS1, SGMS1, FABP4 TLR4 761/4885TLR2 618/4885ALOX5 240/4885
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS CUTA, TAAR5, SHH TLR4 3754/4885TLR2 3713/4885ALOX5 270/4885

“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.