SCHEMBL786447

SCHEMBL786447

CCCCCCCCOS(=O)(=O)[O-].COC(=O)C(C(=O)OCc1ccc(OC)cc1)n1cc[n+](C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL187168 0.91 MBOAT4 (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186233 0.91 MBOAT4 (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL185897 0.91 MBOAT4 (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL786779 0.89 PPARG (0.34) MMP13RECQLGLAHPGDTSHR
SCHEMBL186445 0.87 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186934 0.87 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187042 0.87 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187253 0.86 TSHR (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187308 0.86 TSHR (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187226 0.86 TSHR (0.38) 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 2 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

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 TBXAS1 2435/4885MMP9 2638/4885MMP13 1538/4885

“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.