SCHEMBL4419565

SCHEMBL4419565

CCCCCCCCCCN1C=CN(C)C1.CCCCOS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA9 Q16790 8/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
GUSB P08236 2/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL4411997 1.00 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL4407805 1.00 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL4410087 1.00 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL4419595 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4407396 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4410566 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4409155 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4407301 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4420330 0.97 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL4410520 0.97 CA1 (0.39) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544807-B2 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2009-06-09 US claimed
EP-1425268-B1 ORGANIC SULFATES AS IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2008-02-27 EP claimed
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2008-02-07 US claimed
US-7252791-B2 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2007-08-07 US claimed
US-7544807-B2 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2008-02-07 US disclosed
US-7252791-B2 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2007-08-07 US disclosed
US-20040262578-A1 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2004-12-30 US 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 (2 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-20040262578-A1 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers RPS4Y1, HSPA4, RPS4X CA1 2550/4885CA2 1295/4885CA9 4103/4885
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MRPS34, HSPA4, SLC43A1 CA1 3724/4885CA2 2738/4885CA9 4399/4885

“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.