SCHEMBL219847

SCHEMBL219847

c1ccc2c(c1)COCS2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 4/20 0.39
SIGMAR1 Q99720 1/20 0.34
HSD17B3 P37058 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL29861425 1.00 RYR2 (0.39) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL4512629 0.78 RYR2 (0.46) RYR2KDM4EALDH1A1HPGD
SCHEMBL29471383 0.68
SCHEMBL59871 0.68
SCHEMBL4512915 0.68 RYR2 (0.48) RYR2
SCHEMBL15761043 0.67
SCHEMBL13864441 0.67 ALDH1A1 (0.47) RYR2HSD17B3ALDH1A1HPGDACHE
SCHEMBL5281409 0.67
Ammonia Solution, Strong SCHEMBL23320033 0.66 MAOA (0.40) MAOAMAOBKDM4E
SCHEMBL16439994 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP claimed
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2024-04-11 US claimed
WO-2000035916-A1 HERBICIDAL 4-BENZOYLISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2000-06-22 WO claimed
US-6048984-A HERBICIDES AND ANTIGROWTH AGENTS RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-04-11 US claimed
US-5977376-A Herbicidal 2-benzoylcyclohexane-1,3-diones and related compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-11-02 US claimed
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO claimed
WO-1999003845-A1 2-BENZOYLCYCLOHEXANE-1,3-DIONE DERIVATIVES AS HERBICIDES AND INTERMEDIATES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO claimed
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
CN-114746407-B Novel aromatic monothiol ketals as fragrances 西姆莱斯股份公司 2024-06-21 CN disclosed
WO-2024101343-A1 LIGHT-EMITTING MATERIAL FOR ORGANIC EL, BLUE LIGHT-EMITTING MATERIAL FOR ORGANIC EL, AND ORGANIC EL ELEMENT 株式会社フラスク 2024-05-16 WO disclosed
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2024-04-11 US disclosed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed
EP-0882028-A1 NEW INTERMEDIATES TO PESTICIDES Rhone Poulenc Agro (FR) 1998-12-09 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
WO-1997030037-A1 NEW INTERMEDIATES TO PESTICIDES RHONE POULENC AGRO (FR) 1997-08-21 WO disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 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-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS TRPA1, TRPM5, TRPC5 RYR2 4203/4885SIGMAR1 698/4885HSD17B3 1707/4885

“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.