SCHEMBL945559

SCHEMBL945559

CCOc1ccc(SSc2ccc(OCC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.70
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LTA4H P09960 2/20 0.52
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
PARP10 Q53GL7 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL11311102 0.91 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL11122915 0.91 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL10951255 0.85 NQO1 (0.70) NQO1TSHRTDP1LTA4HNPC1
1,4-Diethoxybenzene SCHEMBL28186701 0.84 NQO1 (1.00) NQO1TSHRTDP1LTA4HNPC1
1,4-Diethoxybenzene SCHEMBL124015 0.84 NQO1 (1.00) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL24196870 0.83 NQO1 (0.67) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL11560871 0.83 NQO1 (0.67) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL6972139 0.83 NQO1 (0.67) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL945686 0.81 LTA4H (0.55) TSHRLTA4HCA12CA1CA2
SCHEMBL11257549 0.81 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof FORESEE PHARMACEUTICALS USA, INC. (US) 2023-08-29 US disclosed
CN-108440375-A Using disulfide as the catalysis oxidation synthetic method of the 3- sulfydryl indole class compounds of sulphur source 浙江工业大学 2018-08-24 CN disclosed
US-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 EP disclosed
US-20130330607-A1 ELECTROLYTIC SOLUTION AND LITHIUM-ION SECONDARY BATTERY KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2013-12-12 US disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 EP disclosed
EP-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP disclosed
US-5840716-A ANTIVIRAL AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 EP disclosed
US-5194539-A Of ethylenically unsaturated monomers where the aqueous dispersion is free from odor causing xanthogen disulfide RHONE-POULENC CHIMIE (FR) 1993-03-16 US disclosed
US-4727178-A Process for preparing phosphorodichloridothiolate STAUFFER CHEMICAL CO. (US) 1988-02-23 US disclosed
EP-0048710-A4 PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS. HERBST RALPH L JR 1982-06-18 EP disclosed
EP-0048710-A1 PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS HERBST, Ralph L., Jr. (US) 1982-04-07 EP disclosed
US-4303765-A PEPTIZATION WITH AROMATIC POLYSULFIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-12-01 US disclosed
WO-1981002851-A1 PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS HERBST R 1981-10-15 WO disclosed
US-4056581-A Process for the preparation of phosphorodichloridothiolates ROHM AND HAAS COMPANY (US) 1977-11-01 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 (2 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-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 NQO1 760/4885TSHR 4265/4885TDP1 2386/4885
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof MMP12, MMP1, MMP11 NQO1 760/4885TSHR 4265/4885TDP1 2386/4885

“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.