SCHEMBL779571

SCHEMBL779571

[CH]1CCC(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
MAOB P27338 10/20 0.44
HTR2C P28335 8/20 0.44
MAOA P21397 7/20 0.44
KDM1A O60341 5/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2B6 P20813 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2A6 P11509 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL1267243 0.85 MAOB (0.52) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL2769401 0.79 MAOB (0.57) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL2768026 0.79 MAOB (0.57) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL2768025 0.79 MAOB (0.57) CHRNA7MAOBHTR2CMAOAKDM1A
Ammonia Solution, Strong SCHEMBL11529212 0.76 MAOB (0.55) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL3000158 0.74 MAOB (0.52) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL11904658 0.74 MEN1 (0.65) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL415662 0.74 MEN1 (0.65) CHRNA7MAOBHTR2CMAOAKDM1A
SCHEMBL385172 0.73 SLC18A3 (0.48) CYP2C19CYP2D6
SCHEMBL4290287 0.71 MAOB (0.44) CHRNA7MAOBHTR2CMAOAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2009-06-25 US claimed
EP-1957198-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-08-20 EP claimed
WO-2007057640-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-05-24 WO claimed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 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
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP disclosed
US-10290901-B2 2019-05-14 US disclosed
EP-1957198-B1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2018-08-22 EP disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 WO disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
CN-101309753-A Carbonylation of ethylenically unsaturated compounds LUCITE INT UK LTD (GB) 2008-11-19 CN disclosed
EP-1957198-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-08-20 EP disclosed
WO-2008075108-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-26 WO disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO disclosed
WO-2007057640-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-05-24 WO 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-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds CBR3, ETFA, ACOX3 CHRNA7 1146/4885MAOB 781/4885HTR2C 3388/4885

“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.