SCHEMBL21629348

SCHEMBL21629348

c1ccc2c(c1)Sc1ccccc1Sc1ccccc1Sc1ccccc1Sc1ccccc1Sc1ccccc1S2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.56
NOX1 Q9Y5S8 5/20 0.56
ACHE P22303 4/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 3/20 0.56
MAOA P21397 2/20 0.56
ALOX12 P18054 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
CNR1 P21554 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2C P28335 1/20 0.56
PTGS2 P35354 1/20 0.56
SNCA P37840 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL25643861 1.00 BCHE (0.56) BCHENOX1ACHEGAAMAPT
Thianthrene SCHEMBL29392368 1.00 BCHE (0.56) BCHENOX1ACHEGAAMAPT
Thianthrene SCHEMBL7786 1.00 BCHE (0.56) BCHENOX1ACHEGAAMAPT
SCHEMBL30823 1.00
Thianthrene SCHEMBL8071394 0.96 BCHE (0.53) BCHENOX1ACHEGAAMAPT
SCHEMBL9329477 0.96
Ammonia Solution, Strong SCHEMBL29077438 0.96
Fluoride SCHEMBL8845016 0.96
Thianthrene SCHEMBL14247824 0.96 BCHE (0.53) BCHENOX1ACHEGAAMAPT
Thianthrene SCHEMBL30716835 0.96 BCHE (0.53) BCHENOX1ACHEGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-01-30 US claimed
US-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-01-30 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 (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-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY SOD1, SOD3, SLC39A11 BCHE 201/4885NOX1 2429/4885ACHE 71/4885

“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.