SCHEMBL1114339

SCHEMBL1114339

CC[N+]1(C)CCCC1.O=S(=O)([O-])CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
RAB9A P51151 1/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
PABPC1 P11940 2/20 0.32
EIF4H Q15056 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 2/20 0.30
APOBEC3G Q9HC16 2/20 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
SCHEMBL1114103 0.89 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM1CHRM3LMNA
SCHEMBL8159898 0.81 PABPC1 (0.41) SMN1; SMN2LMNACTDSP1PABPC1EIF4H
SCHEMBL8153475 0.79 PABPC1 (0.41) SMN1; SMN2LMNACTDSP1PABPC1EIF4H
SCHEMBL1114157 0.75 PABPC1 (0.42) SMN1; SMN2LMNACTDSP1PABPC1EIF4H
Tetrabuthylammonium SCHEMBL1113137 0.75 SMN1; SMN2 (0.39) SMN1; SMN2CTDSP1PABPC1EIF4H
SCHEMBL1114122 0.72 PABPC1 (0.48) SMN1; SMN2CHRM2CHRM1CHRM3LMNA
Acetoacetic Acid SCHEMBL11104714 0.71 PABPC1 (0.32) SMN1; SMN2CTDSP1PABPC1EIF4HALDH1A1
SCHEMBL1111581 0.70 BBOX1 (0.35) ALDH1A1
SCHEMBL11015342 0.70 CA2 (0.37)
SCHEMBL8773420 0.70 CA12 (0.41) SMN1; SMN2LMNACTDSP1PABPC1EIF4H

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 SMN1; SMN2 1636/4885CHRM2 41/4885CHRM1 34/4885

“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.