SCHEMBL3218328

SCHEMBL3218328

O=S(=O)(O)c1ccc(O)c(O)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.42
NQO1 P15559 1/20 0.39
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TNNI3 P19429 2/20 0.37
TNNT2 P45379 2/20 0.37
TNNC1 P63316 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LDHA P00338 1/20 0.36
CYP2D6 P10635 1/20 0.36
PGAM1 P18669 1/20 0.34
CYP1A2 P05177 1/20 0.34
MPL P40238 1/20 0.34
USP2 O75604 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL31256 0.98 COMT (0.43) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL29373188 0.98 COMT (0.43) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL7536401 0.83 CYP2D6 (0.39) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL2552952 0.83 HSD17B10 (0.40) COMTNQO1HSD17B10HPGDLMNA
Diethylamine SCHEMBL11763082 0.83 HIF1A (0.61) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL4070129 0.82 COMT (0.42) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL669153 0.81 COMT (0.44) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL29373949 0.81 COMT (0.44) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL8740780 0.81 COMT (0.44) COMTNQO1HSD17B10HPGDLMNA
SCHEMBL7756811 0.80 COMT (0.41) COMTNQO1HSD17B10HPGDLMNA

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
WO-2023091557-A1 CARBON SUPPORTED ELECTRODE THE LUBRIZOL CORPORATION (US) 2023-05-25 WO claimed
US-8263803-B2 Preparation of metallic dihydroxybenzene-disulfonates RHODIA OPERATIONS (FR) 2012-09-11 US disclosed
US-20100056823-A1 PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES RHODIA OPERATIONS (FR) 2010-03-04 US disclosed
EP-1182501-B1 Photographic processing composition containing bistriazinyl arylenediamine derivative FUJI PHOTO FILM CO LTD (JP) 2006-07-26 EP disclosed
CN-1510510-A Photographic display material using inorganic particles ��˹���´﹫˾ 2004-07-07 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-20100056823-A1 PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES TST, DDT, STS COMT 162/4885NQO1 275/4885HSD17B10 938/4885

“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.