SCHEMBL776484

SCHEMBL776484

CCC=CSSC=CCC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35

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
SCHEMBL8508826 0.87
SCHEMBL16943969 0.83
SCHEMBL17130699 0.83
SCHEMBL776810 0.77
SCHEMBL9117590 0.77
SCHEMBL13220730 0.74
SCHEMBL15216012 0.74
SCHEMBL2272187 0.74
SCHEMBL5328312 0.73
SCHEMBL5333091 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109991325-B Food quality evaluation method based on metabonomics data fusion and artificial neural network and application thereof 中国检验检疫科学研究院 2022-12-20 CN claimed
CN-109991325-A The evaluation method and its application of food quality based on metabolism group data fusion and artificial neural network 中国检验检疫科学研究院 2019-07-09 CN claimed
US-10052045-B2 Method for testing oral malodor COLGATE-PALMOLIVE COMPANY (US) 2018-08-21 US claimed
CN-108014253-A Composition in a kind of garlic and sesame and preparation method thereof and tumor-inhibiting anticancer application 深圳市阿霍烯生物科技有限公司 2018-05-11 CN claimed
US-20150265183-A1 METHOD FOR TESTING ORAL MALODOR COLGATE-PALMOLIVE COMPANY 2015-09-24 US claimed
WO-2014098895-A1 METHOD FOR TESTING ORAL MALODOR COLGATE-PALMOLIVE COMPANY (US) 2014-06-26 WO claimed
US-20060078570-A1 Use of asafetida extract as medicine for abstinence of drugs WANG, YANDING (CN) 2006-04-13 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-109991325-B Food quality evaluation method based on metabonomics data fusion and artificial neural network and application thereof 中国检验检疫科学研究院 2022-12-20 CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
CN-112067711-A System and method for detecting acrimony of allium products by combining respiratory metabolic gas with simulated chewing gastric digestion 沈阳农业大学 2020-12-11 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP disclosed
US-4609754-A UNSATURATED ALCOHOL AND KETO ESTER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-09-02 US disclosed
US-4560499-A Isosolanone and solanone intermediates and organoleptic uses INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-12-24 US disclosed
US-4552770-A FOODS, CHEWING GUM INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-11-12 US disclosed
US-4521613-A ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-06-04 US disclosed
US-4476147-A Flavoring of alliaceous-flavored foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-10-09 US disclosed
US-4433695-A Process for the production of isosolanone and solanone, intermediates useful in said process and organoleptic uses of said intermediates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-02-28 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-10052045-B2 Method for testing oral malodor TAS2R60, TAS2R30, TAS2R40 TRPA1 775/4885
US-20150265183-A1 METHOD FOR TESTING ORAL MALODOR TAS2R60, TAS2R30, TAS2R40 TRPA1 775/4885

“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.