SCHEMBL803624

SCHEMBL803624

COC(=O)C(OC(=O)C[n+]1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.55
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL803601 0.87 ALDH1A1 (0.44) EDNRAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL15897079 0.85 EDNRA (0.46) EDNRAKMT2AMEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL786185 0.84 EDNRA (0.46) EDNRAKMT2AMEN1OPRM1OPRD1
SCHEMBL803787 0.82 EDNRA (0.56) EDNRAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL803897 0.79 EDNRA (0.46) EDNRAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL803824 0.76 EDNRA (0.54) EDNRAKMT2AOPRM1OPRD1TAS1R3
SCHEMBL15896801 0.74 ALDH1A1 (0.38) EDNRAKMT2AMEN1TAS1R3TAS1R1
Bromide SCHEMBL786345 0.73 ALDH1A1 (0.37) EDNRAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL15896809 0.72 KMT2A (0.39) EDNRAKMT2AMEN1TAS1R3TAS1R1
Bromide SCHEMBL786195 0.72 KMT2A (0.40) EDNRAKMT2AMEN1TAS1R3TAS1R1

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 4 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

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 EDNRA 3492/4885KMT2A 3968/4885MEN1 3011/4885

“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.