SCHEMBL1114122

SCHEMBL1114122

CCCC[n+]1ccccc1.O=S(=O)([O-])CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.48
EIF4H Q15056 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
CHRM1 P11229 2/20 0.40
ACHE P22303 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 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
SCHEMBL1114157 0.88 PABPC1 (0.42) PABPC1EIF4HCTDSP1KMT2ASMN1; SMN2
SCHEMBL1114158 0.85 PABPC1 (0.39) PABPC1EIF4HCTDSP1KMT2ASMN1; SMN2
SCHEMBL8159898 0.81 PABPC1 (0.41) PABPC1EIF4HCTDSP1SMN1; SMN2LMNA
Tetrabuthylammonium SCHEMBL1113137 0.81 SMN1; SMN2 (0.39) PABPC1EIF4HCTDSP1SMN1; SMN2RXFP1
SCHEMBL15345877 0.77 PABPC1 (0.34) PABPC1EIF4HCTDSP1CHRM2ADRA2A
SCHEMBL1114160 0.76 MAPT (0.43) PABPC1EIF4HCTDSP1KMT2ASMN1; SMN2
SCHEMBL8153475 0.76 PABPC1 (0.41) PABPC1EIF4HCTDSP1SMN1; SMN2LMNA
SCHEMBL30496790 0.76 ACHE (0.49) PABPC1EIF4HCTDSP1CHRM2ADRA2A
SCHEMBL1111715 0.75 CHRM2 (0.45) PABPC1EIF4HCTDSP1CHRM2ADRA2A
SCHEMBL1114103 0.75 SMN1; SMN2 (0.39) CTDSP1CHRM2CHRM1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2279192-A2 IONIC LIQUIDS Merck Patent GmbH (DE) 2011-02-02 EP disclosed
WO-2009152902-A2 IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-12-23 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-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 PABPC1 4560/4885EIF4H 4418/4885CTDSP1 2321/4885

“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.