SCHEMBL187253

SCHEMBL187253

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
BLM P54132 1/20 0.38
CTRC Q99895 1/20 0.36
PPARG P37231 3/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CETP P11597 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL187308 1.00 TSHR (0.38) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL187226 1.00 TSHR (0.38) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL186934 0.99 TSHR (0.40) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL187042 0.99 TSHR (0.40) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL186445 0.99 TSHR (0.40) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL186469 0.95 RECQL (0.37) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL187324 0.95 RECQL (0.37) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL187569 0.95 RECQL (0.37) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL186233 0.95 MBOAT4 (0.38) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL185897 0.95 MBOAT4 (0.38) TSHRMAPK1ALDH1A1CYP3A4TDP1

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 TSHR 4680/4885MAPK1 2984/4885ALDH1A1 834/4885

“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.