SCHEMBL803823

SCHEMBL803823

COC(=O)C(c1ccc2c(c1)OCO2)n1cc[n+](C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.47
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP26A1 O43174 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
OGA O60502 1/20 0.39
HPGD P15428 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
SCHEMBL803822 0.85 HPGD (0.42) KMT2AGAAKDM4EALDH1A1TAS1R3
SCHEMBL15896811 0.79 ALDH1A1 (0.42) ALDH1A1HPGD
Hydrochloric Acid SCHEMBL786186 0.77 CYP3A4 (0.51) EDNRAKMT2AGAAALDH1A1HPGD
SCHEMBL22404286 0.73 EDNRA (0.56) EDNRAKMT2AKDM4EALDH1A1TAS1R3
SCHEMBL1746047 0.72 PTGS2 (0.56) EDNRAKMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL805660 0.72 EDNRA (0.55) EDNRAKMT2AKDM4EALDH1A1TAS1R3
SCHEMBL4996294 0.71 EDNRA (0.54) EDNRAKMT2AKDM4EALDH1A1TAS1R3
SCHEMBL10204938 0.71 EDNRA (0.54) EDNRAKMT2AKDM4EALDH1A1TAS1R3
SCHEMBL805662 0.71 EDNRA (0.54) EDNRAKMT2AKDM4EALDH1A1TAS1R3
SCHEMBL14032401 0.71 EDNRA (0.54) EDNRAKMT2AKDM4EALDH1A1TAS1R3

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 3968/4885GAA 4076/4885

“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.