SCHEMBL803777

SCHEMBL803777

CCOC(=O)C(OC(=O)C[n+]1ccn(C)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KCNA3 P22001 1/20 0.35
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 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
SCHEMBL803862 1.00 MMP8 (0.38) MMP8TSHRCYP3A4CYP2C19GAA
SCHEMBL803779 1.00 MMP8 (0.38) MMP8TSHRCYP3A4CYP2C19GAA
Bromide SCHEMBL187292 0.99 MMP8 (0.37) MMP8TSHRCYP3A4CYP2C19GAA
Bromide SCHEMBL187478 0.99 MMP8 (0.37) MMP8TSHRCYP3A4CYP2C19GAA
SCHEMBL15896771 0.91 KDM4E (0.35) CYP3A4CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL15897199 0.91 KDM4E (0.35) CYP3A4CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL15896808 0.91 KDM4E (0.35) CYP3A4CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL13187071 0.91 TSHR (0.34) MMP8TSHRCYP3A4CYP2C19GAA
SCHEMBL13186843 0.91 TSHR (0.34) MMP8TSHRCYP3A4CYP2C19GAA
SCHEMBL15896807 0.90 TSHR (0.37) TSHRCYP3A4SMN1; SMN2ALDH1A1LMNA

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-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
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
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO 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 MMP8 2061/4885TSHR 4680/4885CYP3A4 452/4885

“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.