SCHEMBL776587

SCHEMBL776587

Cc1ccccc1C[S+]([O-])Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2A13 Q16696 1/20 0.37
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18323989 0.81 GAA (0.43) PTGS2KMT2AGAAMAOBHPGD
SCHEMBL18323992 0.80 TAAR1 (0.39) TAAR1KMT2AMEN1GAAMAOB
SCHEMBL6911927 0.79 TAAR1 (0.41) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL777259 0.76 GABRA1 (0.41) TSHRGAAALDH1A1
SCHEMBL20875153 0.74 MAOB (0.38) TSHRKMT2AMEN1GAAMAOB
SCHEMBL7106102 0.73 HTR2A (0.50) KMT2AMEN1HPGD
SCHEMBL17104771 0.73 HTR1A (0.36) TAAR1GAAHPGDALDH1A1ADRA2A
SCHEMBL1422357 0.72
SCHEMBL31083860 0.72
SCHEMBL778620 0.71 TAAR1 (0.48) TAAR1KMT2AMEN1CYP2A13HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105925246-A Electricity generated acid produced by blending substances with changeable oxidation state and electrolyte and applications thereof 吉林大学 2016-09-07 CN 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-115448836-A Process for preparing acetate compounds having 1,2-dimethyl-3-methylenecyclopentyl groups and acetaldehyde 信越化学工业株式会社 2022-12-09 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-109485587-B Method for preparing sulfoxide compound by one-step reaction of benzyl chloride compound and thiophenol under metal-free condition 陕西师范大学 2020-10-16 CN disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
CN-110857265-A Process for preparing (E2) -cis-6, 7-epoxy-2-nonenal 信越化学工业株式会社 2020-03-03 CN disclosed
CN-110857264-A Process for preparing (E2, Z6) -2, 6-nonadienal 信越化学工业株式会社 2020-03-03 CN disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-20060014955-A1 Optically enhanced chiral ionic liquids ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-01-19 US disclosed
CN-1659154-A Process for the preparation of amine stereoisomers APSINTERM LLC (US) 2005-08-24 CN disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 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-20060014955-A1 Optically enhanced chiral ionic liquids GCG, INF2, ELOVL3 TAAR1 1789/4885ACHE 2657/4885TSHR 2649/4885

“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.