SCHEMBL187568

SCHEMBL187568

CCCCCCCCOS(=O)(=O)[O-].CCOC(=O)[C@@H](C(=O)OCc1ccccc1)[n+]1ccn(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTRC Q99895 1/20 0.34
CETP P11597 3/20 0.34
TYR P14679 2/20 0.34
PPARG P37231 3/20 0.33
MBOAT4 Q96T53 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
SCHEMBL186468 1.00 RECQL (0.37) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186933 0.95 TSHR (0.40) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186444 0.95 TSHR (0.40) RECQLTSHRMAPK1GLAHPGD
SCHEMBL185896 0.94 RECQL (0.36) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186232 0.94 RECQL (0.36) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186169 0.91 RECQL (0.33) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186611 0.90 RECQL (0.46) RECQLTSHRMAPK1GLAHPGD
SCHEMBL187056 0.87 RECQL (0.43) RECQLTSHRMAPK1GLAHPGD
SCHEMBL186623 0.87 RECQL (0.43) RECQLTSHRMAPK1GLAHPGD
SCHEMBL187200 0.86 RECQL (0.42) RECQLTSHRMAPK1GLAHPGD

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
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US claimed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP claimed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO claimed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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 (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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 RECQL 3537/4885TSHR 4680/4885MAPK1 2984/4885

“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.