SCHEMBL1114158

SCHEMBL1114158

CCCC[n+]1ccn(C)c1.O=S(=O)([O-])CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.39
EIF4H Q15056 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 6/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 4/20 0.35
APAF1 O14727 3/20 0.35
MEN1 O00255 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MITF O75030 1/20 0.35
BLM P54132 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34

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 0.85 PABPC1 (0.48) PABPC1EIF4HCTDSP1ALDH1A1MAPT
SCHEMBL4023086 0.81 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL28143118 0.81 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL4266264 0.79
SCHEMBL1114160 0.79 MAPT (0.43) PABPC1EIF4HCTDSP1ALDH1A1MAPT
SCHEMBL7742084 0.79 KDM4E (0.37) PABPC1EIF4HCTDSP1ALDH1A1MAPT
SCHEMBL4457299 0.78 ALDH1A1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL1992347 0.78 PABPC1 (0.33) PABPC1EIF4HCTDSP1ALDH1A1MAPT
SCHEMBL1111608 0.78 HTT (0.34) PABPC1EIF4HCTDSP1ALDH1A1MAPT
SCHEMBL28652452 0.77 KDM4E (0.37) PABPC1ALDH1A1MAPTHTTSMN1; 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.