SCHEMBL392677

SCHEMBL392677

C=CCSSSSSCC=C

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.80
ALDH1A1 P00352 2/20 0.80
CYP3A4 P08684 2/20 0.80
HPGD P15428 2/20 0.80
ALOX15 P16050 1/20 0.67
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.34
TERT O14746 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
SLC25A21 Q9BQT8 1/20 0.32

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
SCHEMBL389755 1.00 TRPA1 (0.80) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL2987869 1.00 TRPA1 (0.80) TRPA1ALDH1A1CYP3A4HPGDALOX15
Diallyl Tetrasulfide SCHEMBL389609 0.96 TRPA1 (0.86) TRPA1ALDH1A1CYP3A4HPGDALOX15
Allitridin SCHEMBL562845 0.89
SCHEMBL2928674 0.86
SCHEMBL2931131 0.82
Diallyldisulfide SCHEMBL93944 0.81
Diallyldisulfide SCHEMBL18687005 0.81 TRPA1 (1.00) TRPA1ALDH1A1CYP3A4HPGDALOX15
Allitridin SCHEMBL3659060 0.78 TRPA1 (0.77) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL534079 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106701274-A Stamping oil composition 浙江海洋大学 2017-05-24 CN claimed
US-RE42165-E1 Modified asphalt compositions WESTLAKE LONGVIEW CORP. (US) 2011-02-22 US claimed
US-7202290-B2 Modified asphalt compositions EASTMAN CHEMICAL COMPANY (US) 2007-04-10 US claimed
US-20050101702-A1 mixtures of oxidized polyethylene, styrene-butadiene-styrene block copolymer and asphalt having storage stability and good workability, used as pavings BARINGS FINANCE LLC, AS ADMINISTRATIVE AGENT 2005-05-12 US claimed
US-20030077264-A1 Antimicrobial blood treatment using allicin and related compounds GAMBRO, INC. 2003-04-24 US claimed
WO-2020241814-A1 ANTIVIRAL AGENT OR VIRAL cccDNA FORMATION INHIBITOR 国立大学法人東京大学 2020-12-03 WO disclosed
CN-111378161-A Energy absorption method and application thereof 翁秋梅 2020-07-07 CN disclosed
CN-111378167-A Dynamic polymer with hybrid cross-linked network 翁秋梅 2020-07-07 CN disclosed
EP-1868439-B1 A PESTICIDE AND REPELLANT ECOSPRAY LTD (GB) 2017-11-22 EP disclosed
CN-107287003-A A kind of carbon mano-tube composite for filling lubricating additive and preparation method thereof, application 苏州工业职业技术学院 2017-10-24 CN disclosed
US-9526254-B2 Pesticide and repellant ECOSPRAY LIMITED (GB) 2016-12-27 US disclosed
CN-106118817-A Environment-friendly heavy-duty gear lubricating oil with neopentyl polyol ester added with calcium hexadecyl borate 沈阳理工大学 2016-11-16 CN disclosed
US-5314935-A Roadways ELF ANTAR FRANCE (FR) 1994-05-24 US disclosed
US-5231114-A Polysulfides compounds and lipid peroxidation inhibitor containing the polysulfide compounds as active ingredient WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-07-27 US disclosed
US-5149879-A POLYSULFIDES COMPOUNDS AND LIPID PEROXIDATION INHIBITOR CONTAINING THE POLYSULFIDE COMPOUNDS AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-09-22 US disclosed
US-5120777-A Organonitrogen compound as coupler ELF FRANCE (FR) 1992-06-09 US disclosed
EP-0464521-A2 Polysulfide compounds and lipid peroxidation inhibitor containing the polysulfide compounds as active ingredient WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-01-08 EP disclosed
EP-0108149-B1 PROCESS FOR PREPARING DIALKYL TRISULFIDES PENNWALT CORPORATION (US) 1986-04-09 EP disclosed
US-4564709-A MAGNESIUM OXIDE CATALYST PENNWALT CORPORATION (US) 1986-01-14 US disclosed
EP-0108149-A1 PROCESS FOR PREPARING DIALKYL TRISULFIDES PENNWALT CORPORATION (US) 1984-05-16 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-20030077264-A1 Antimicrobial blood treatment using allicin and related compounds JAK2, GART, F8 TRPA1 1335/4885ALDH1A1 2642/4885CYP3A4 1893/4885

“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.