SCHEMBL1114157

SCHEMBL1114157

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
IDE P14735 1/20 0.30
APOBEC3A P31941 1/20 0.30
RECQL P46063 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL1114122 0.88 PABPC1 (0.48) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL8159898 0.84 PABPC1 (0.41) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL8153475 0.79 PABPC1 (0.41) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
Tetrabuthylammonium SCHEMBL1113137 0.78 SMN1; SMN2 (0.39) PABPC1EIF4HCTDSP1RXFP1TDP1
SCHEMBL1114158 0.77 PABPC1 (0.39) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL1114339 0.75 SMN1; SMN2 (0.39) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL15345874 0.74 MAOA (0.32) PABPC1EIF4HCTDSP1
SCHEMBL1114160 0.74 MAPT (0.43) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
Acetoacetic Acid SCHEMBL11104714 0.74 PABPC1 (0.32) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL1114103 0.73 SMN1; SMN2 (0.39) CTDSP1ALDH1A1HPGDLMNAKMT2A

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.