SCHEMBL1111653

SCHEMBL1111653

CCCC[N+]1(C)CCCC1.CCCOCCCCS(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
BBOX1 O75936 2/20 0.34
CDC25A P30304 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PMP22 Q01453 1/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL1111660 0.92 LMNA (0.38) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL1111629 0.89 LMNA (0.31) LMNAAPOBEC3AAPOBEC3GBBOX1TSHR
SCHEMBL5011415 0.80 BBOX1 (0.46) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL1111598 0.79 DNM1 (0.35) LMNAAPOBEC3AAPOBEC3GBBOX1TSHR
SCHEMBL24072018 0.78 BBOX1 (0.44) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL29629132 0.78 KDM4E (0.54) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL1111605 0.78 LMNA (0.31) LMNAAPOBEC3AAPOBEC3GBBOX1
Sulfuric Acid SCHEMBL17102671 0.78 BBOX1 (0.47) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL5009177 0.78 BBOX1 (0.47) LMNAAPOBEC3AAPOBEC3GBBOX1CDC25A
SCHEMBL1111657 0.78 BBOX1 (0.34) LMNABBOX1TSHRBLMCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 150/4885APOBEC3A 1943/4885APOBEC3G 2385/4885

“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.