SCHEMBL5207685

SCHEMBL5207685

O=S(=O)(O)c1cc(S(=O)(=O)O)c(O)c(S(=O)(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PGAM1 P18669 1/20 0.41
CYP2D6 P10635 1/20 0.39
ING2 Q9H160 1/20 0.38
NQO1 P15559 1/20 0.38
DAPK1 P53355 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
NSD2 O96028 2/20 0.35
CASP6 P55212 2/20 0.35
MMP14 P50281 1/20 0.35
BRD4 O60885 1/20 0.34
MPL P40238 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 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
SCHEMBL29412224 0.88 HSD17B10 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7091094 0.88 HSD17B10 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL17005598 0.86 HSD17B10 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL17005600 0.86 HSD17B10 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL6007852 0.85 PGAM1 (0.43) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL8367840 0.84 BRD4 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL5318762 0.84 CA1 (0.41) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL1224928 0.83 PGAM1 (0.53) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL11772949 0.83 HSD17B10 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL10336876 0.83 PGAM1 (0.42) HSD17B10ALDH1A1CASP1CASP7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784943-A Method for improving preparation selectivity of 2-sulfonic-4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2023-03-14 CN claimed
CN-112552181-B Preparation method of 4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2022-07-08 CN claimed
CN-112552181-A Preparation method of 4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2021-03-26 CN claimed
US-6974881-B2 Production method of 4,6-diaminoresorcin MITSUI CHEMICALS, INC. (JP) 2005-12-13 US claimed
EP-1048644-B1 Process for the preparation of 4,6-diaminoresorcin MITSUI CHEMICALS INC (JP) 2003-04-23 EP claimed
US-20020107415-A1 Production method of 4,6-diaminoresorcin KUMAMOTO YUKIHIRO (JP) 2002-08-08 US claimed
US-6359180-B1 HYDROLYSIS OF 2-SULFONIC ACID-4,6-DINITRORESORCIN MITSUI CHEMICALS, INCORPORATED (JP) 2002-03-19 US claimed
EP-1048644-A1 Process for the preparation of 4,6-diaminoresorcin Mitsui Chemicals, Inc. (JP) 2000-11-02 EP claimed
CN-115784943-A Method for improving preparation selectivity of 2-sulfonic-4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2023-03-14 CN disclosed
CN-112552181-B Preparation method of 4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2022-07-08 CN disclosed
CN-114315526-A Preparation method of resorcinol 中石化南京化工研究院有限公司 2022-04-12 CN disclosed
CN-112552181-A Preparation method of 4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2021-03-26 CN disclosed
CN-104177265-A 4,6-diamino-resorcinol hydrochloride synthesis method KINGFA SCIENCE & TECHNOLOGY CO 2014-12-03 CN disclosed
EP-1805293-A1 LIQUID DETERGENT COMPRISING SECONDARY ALKYL SULPHONATES AND COLOUR FIXING AGENT Clariant Produkte (Deutschland) GmbH (DE) 2007-07-11 EP disclosed
JP-2001114748-A METHOD FOR PRODUCING RESORCINOL 2,4,6-TRISULFONIC ACID MITSUI CHEMICALS INC 2001-04-24 JP disclosed
JP-2001039935-A PRODUCTION OF 4,6-DIAMINORESORCIN MITSUI CHEMICALS INC 2001-02-13 JP disclosed
CN-1276369-A Process for preparing 4,6-diamino-m-benzenediol MITSUI CHEMICALS INC (JP) 2000-12-13 CN disclosed
JP-2000344733-A 2-SULFONIC ACID-4,6-DINITRORESORCINOL AND ITS SALT AND THEIR PRODUCTION MITSUI CHEMICALS INC 2000-12-12 JP disclosed
EP-1048644-A1 Process for the preparation of 4,6-diaminoresorcin Mitsui Chemicals, Inc. (JP) 2000-11-02 EP disclosed
EP-1048644-A1 Process for the preparation of 4,6-diaminoresorcin Mitsui Chemicals, Inc. (JP) 2000-11-02 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 (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-20020107415-A1 Production method of 4,6-diaminoresorcin SRM, QDPR, DDO HSD17B10 1391/4885ALDH1A1 866/4885CASP1 3317/4885

“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.