SCHEMBL1114103

SCHEMBL1114103

CCCC[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 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
BBOX1 O75936 2/20 0.32
LMNA P02545 2/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 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
SCHEMBL1114339 0.89 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8159898 0.78 PABPC1 (0.41) SMN1; SMN2ALDH1A1HPGDLMNACTDSP1
Tetrabuthylammonium SCHEMBL1113137 0.78 SMN1; SMN2 (0.39) SMN1; SMN2BBOX1CTDSP1TDP1
SCHEMBL8153475 0.76 PABPC1 (0.41) SMN1; SMN2ALDH1A1HPGDLMNACTDSP1
SCHEMBL1114122 0.75 PABPC1 (0.48) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5011415 0.73 BBOX1 (0.46) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL1114157 0.73 PABPC1 (0.42) SMN1; SMN2ALDH1A1HPGDKMT2ALMNA
SCHEMBL1111598 0.72 DNM1 (0.35) KMT2ABBOX1LMNATDP1CYP3A4
SCHEMBL24072018 0.72 BBOX1 (0.44) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5009177 0.72 BBOX1 (0.47) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1

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 41/4885CHRM4 13/4885

“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.