SCHEMBL21629342

SCHEMBL21629342

CC(=O)OSCc1ccccc1.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 3/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CETP P11597 3/20 0.42
EPHX2 P34913 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL21629327 0.83 CETP (0.41) MEN1KMT2ACETPEPHX2PTGS2
SCHEMBL7606998 0.77 EPHX2 (0.50) MEN1KMT2ACETPEPHX2ALDH1A1
SCHEMBL28545475 0.77 EPHX2 (0.50) MEN1KMT2ACETPEPHX2ALDH1A1
SCHEMBL21629382 0.76 ACHE (0.43) DNM1KMT2ATP53HTTACHE
SCHEMBL21629362 0.76 ACHE (0.40) DNM1KMT2AHTTACHEPTGS2
SCHEMBL21629345 0.76 ACHE (0.43) DNM1KMT2ATP53HTTACHE
Hydrochloric Acid SCHEMBL11334885 0.74 KMT2A (0.50) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4269970 0.71 DNM1 (0.59) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL23277055 0.71 DNM1 (0.69) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL11136129 0.71 DNM1 (0.62) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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 4 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
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO 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
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 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-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY SOD1, SOD3, SLC39A11 DNM1 1529/4885MEN1 2861/4885KMT2A 2843/4885

“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.