SCHEMBL187056

SCHEMBL187056

CCCCCCCCOS(=O)(=O)[O-].CCCOC(=O)C(C(=O)OCC)[n+]1ccn(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
BLM P54132 1/20 0.43
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 8/20 0.30
CA2 P00918 8/20 0.30
CA9 Q16790 7/20 0.30
CA12 O43570 3/20 0.30
CA7 P43166 3/20 0.30
CA14 Q9ULX7 3/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 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
SCHEMBL186611 0.97 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186623 0.96 RECQL (0.43) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187200 0.93 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186571 0.88 RECQL (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186468 0.87 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187568 0.87 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL15258674 0.87 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL785948 0.84 LMNA (0.30)
SCHEMBL186444 0.83 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186933 0.83 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1

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-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 3537/4885GLA 2515/4885HPGD 1134/4885

“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.