SCHEMBL7218657

SCHEMBL7218657

COc1c(O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GPR35 Q9HC97 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
CTSB P07858 2/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 1/20 0.44
CTSH P09668 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK2 P24941 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL31118308 0.86 TPMT (0.47) TPMTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL6599426 0.85 TPMT (0.50) TPMTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL11265430 0.82 GPR35 (0.50) TPMTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL6275780 0.81 TSHR (0.50) TPMTTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL34473595 0.81 TDP1 (0.47) TPMTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL11983744 0.80 ALDH1A1 (0.52) TDP1TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL69641 0.80 TPMT (0.49) TPMTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL1896801 0.79 TDP1 (0.56) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL28047042 0.79 TDP1 (0.47) TPMTTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL6237101 0.79 TSHR (0.49) TDP1TSHRSMN1; SMN2ALDH1A1HPGD

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 5 patents. 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
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
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 disclosed
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 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 (1 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-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 TPMT 1341/4885TDP1 1142/4885TSHR 4501/4885

“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.