SCHEMBL185897

SCHEMBL185897

CCCCCCCCOS(=O)(=O)[O-].COC(=O)[C@@H](C(=O)OCc1ccccc1)n1cc[n+](C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.38
CTRC Q99895 1/20 0.37
RECQL P46063 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
EPHX2 P34913 1/20 0.36
BLM P54132 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CETP P11597 3/20 0.33
TLR2 O60603 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL186233 1.00 MBOAT4 (0.38) MBOAT4CTRCRECQLTSHRMAPK1
SCHEMBL187168 1.00 MBOAT4 (0.38) MBOAT4CTRCRECQLTSHRMAPK1
SCHEMBL187226 0.95 TSHR (0.38) CTRCRECQLTSHRMAPK1HPGD
SCHEMBL187253 0.95 TSHR (0.38) CTRCRECQLTSHRMAPK1HPGD
SCHEMBL187308 0.95 TSHR (0.38) CTRCRECQLTSHRMAPK1HPGD
SCHEMBL186469 0.94 RECQL (0.37) MBOAT4CTRCRECQLTSHRMAPK1
SCHEMBL187324 0.94 RECQL (0.37) MBOAT4CTRCRECQLTSHRMAPK1
SCHEMBL186445 0.94 TSHR (0.40) CTRCRECQLTSHRMAPK1HPGD
SCHEMBL186934 0.94 TSHR (0.40) CTRCRECQLTSHRMAPK1HPGD
SCHEMBL187042 0.94 TSHR (0.40) CTRCRECQLTSHRMAPK1HPGD

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 MBOAT4 2893/4885CTRC 162/4885RECQL 3537/4885

“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.