SCHEMBL3043522

SCHEMBL3043522

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1342303 0.85 ALDH1A1 (0.63) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL27952716 0.85 ALDH1A1 (0.63) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL17626963 0.85 TSHR (0.50) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL907916 0.83 TDP1 (0.45) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL10583683 0.82 ALDH1A1 (0.65) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL10666114 0.82 ALDH1A1 (0.59) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL27829640 0.82 ALDH1A1 (0.59) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL7119231 0.82 ALDH1A1 (0.59) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL7221265 0.81 KMT2A (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL10434101 0.81 ALDH1A1 (0.54) ALDH1A1TDP1RAB9ANPC1RECQL

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 10 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
US-20260144724-A1 Mixture of at least five surfactants (I1) to (I5) WELLA GERMANY GMBH (DE) 2026-05-28 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-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
EP-3086856-A1 PACKAGING ARTICLE COMPRISING AN ENVELOPE AND AN ANHYDROUS DYE COMPOSITION COMPRISING A DIRECT DYE, USE OF THE SAME AND PROCESS FOR DYEING KERATIN FIBRES L'OREAL (FR) 2016-11-02 EP disclosed
WO-2015097310-A1 LIGHTENING DYEING PROCESS USING A SUBSTRATE BEARING AT LEAST ONE OXIDIZING AGENT AND AN AQUEOUS COMPOSITION COMPRISING ONE OR MORE DIRECT DYES L'OREAL (FR) 2015-07-02 WO disclosed
WO-2015097308-A1 DYEING PROCESS USING AN INSOLUBLE SUBSTRATE BEARING AT LEAST ONE DIRECT DYE AND AN AQUEOUS COMPOSITION L'OREAL (FR) 2015-07-02 WO disclosed
WO-2015097098-A1 PACKAGING ARTICLE COMPRISING AN ENVELOPE AND AN ANHYDROUS DYE COMPOSITION COMPRISING A DIRECT DYE, USE OF THE SAME AND PROCESS FOR DYEING KERATIN FIBRES L'OREAL (FR) 2015-07-02 WO 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 (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-20070033743-A1 direct dyes KRT18, DSG1, DSP ALDH1A1 385/4885TDP1 1167/4885RAB9A 1509/4885
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 ALDH1A1 801/4885TDP1 3132/4885RAB9A 4027/4885
US-20260144724-A1 Mixture of at least five surfactants (I1) to (I5) DEGS1, SGMS1, FABP4 ALDH1A1 3076/4885TDP1 3998/4885RAB9A 3974/4885

“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.