SCHEMBL863466

SCHEMBL863466

COCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSB P07858 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
NOX4 Q9NPH5 1/20 0.49
ERN1 O75460 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
HSP90AA1 P07900 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL9524366 0.86 GPR35 (0.55) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4229386 0.84 ALDH1A1 (0.49) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4232672 0.83 ITGA4 (0.49) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4231830 0.82 ALDH1A1 (0.58) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL5667642 0.81 ALDH1A1 (0.46) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL11317000 0.81 HTT (0.49) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL792497 0.81 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL863443 0.81 HTT (0.57) ALDH1A1TSHRHPGDGAATHRB
SCHEMBL51277 0.80 GPR35 (0.60) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL791991 0.80 HTT (0.44) ALDH1A1TSHRHPGDMEN1KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101216468-B 2-methoxymethyl-4-aminophenol and its impurity highly effective liquid phase chromatography analytical method SHANGHAI CHEMICAL REAGENT RES INST 2012-04-18 CN claimed
CN-101216468-A 2-methoxymethyl-4-aminophenol and its impurity highly effective liquid phase chromatography analytical method SHANGHAI CHEMICAL REAGENT RES (CN) 2008-07-09 CN claimed
EP-1103542-B1 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres WELLA AG (DE) 2004-04-28 EP claimed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US claimed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP claimed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 US disclosed
US-6648923-B1 Ready to apply WELLA AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-6558433-B2 Oxidation hair dye WELLA AG (DE) 2003-05-06 US disclosed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US disclosed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US disclosed
EP-1103542-A3 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-12-05 EP disclosed
JP-2001151739-A METHOD FOR PRODUCING 1,4-DIAMINO-2-METHOXYMETHYL- BENZENE AND ITS SALT, AND USE OF THESE COMPOUNDS AS DYESTUFF FOR KERATINOUS FIBER WELLA AG 2001-06-05 JP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 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 (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-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine HNMT, PNMT, BHMT2 GPR35 3801/4885ALDH1A1 843/4885TSHR 4314/4885
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same KRT18, SCNN1B, DDAH1 GPR35 4157/4885ALDH1A1 308/4885TSHR 4501/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 GPR35 4113/4885ALDH1A1 837/4885TSHR 3127/4885

“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.