SCHEMBL1111581

SCHEMBL1111581

CC[N+]1(C)CCCC1.CN(C)CCCCS(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.35
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL1111598 0.87 DNM1 (0.35) BBOX1DNM1TSHRTHRATHRB
SCHEMBL1111576 0.86 BBOX1 (0.31) BBOX1
SCHEMBL1111616 0.77 BBOX1 (0.37) BBOX1TSHR
SCHEMBL1111605 0.77 LMNA (0.31) BBOX1
SCHEMBL1111629 0.76 LMNA (0.31) BBOX1TSHR
Sulfuric Acid SCHEMBL17102670 0.75 BBOX1 (0.34) BBOX1TSHR
SCHEMBL5011415 0.74 BBOX1 (0.46) BBOX1ALDH1A1TSHR
SCHEMBL1111657 0.74 BBOX1 (0.34) BBOX1TSHR
Sulfuric Acid SCHEMBL17102587 0.73 TSHR (0.37) BBOX1ALDH1A1TSHR
Sulfuric Acid SCHEMBL21195060 0.73 BBOX1 (0.33) BBOX1TSHR

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 BBOX1 4217/4885DNM1 4201/4885ALDH1A1 3058/4885

“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.