SCHEMBL786446

SCHEMBL786446

CCCCCCCCOS(=O)(=O)[O-].COC(=O)C(C(=O)OCc1ccc(OC)cc1)[n+]1ccn(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.37
MMP2 P08253 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TBXAS1 P24557 3/20 0.36
MMP13 P45452 5/20 0.36
MMP1 P03956 3/20 0.36
ADAM17 P78536 2/20 0.36
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 2/20 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
SCHEMBL185896 0.91 RECQL (0.36) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186232 0.91 RECQL (0.36) RECQLGLAHPGDTSHRMAPK1
SCHEMBL786778 0.89 SLC6A5 (0.36) MMP13RECQLGLAHPGDTSHR
SCHEMBL186933 0.87 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186444 0.87 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187200 0.86 RECQL (0.42) SMN1; SMN2RECQLGLAHPGDTSHR
SCHEMBL187568 0.85 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186468 0.85 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL786530 0.84 ALDH1A1 (0.42) MMP9MMP2MMP1HTTSMN1; SMN2
SCHEMBL186611 0.81 RECQL (0.46) CA1CA2CA9SMN1; SMN2RECQL

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 MMP9 2638/4885MMP2 2886/4885CA1 483/4885

“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.