SCHEMBL804136

SCHEMBL804136

COC(=O)C(c1ccc(O)c(O)c1)n1cc[n+](C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TTR P02766 1/20 0.35
APP P05067 1/20 0.35
TDP1 Q9NUW8 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 5/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP1A2 P05177 3/20 0.34
ADRB2 P07550 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 3/20 0.34
BLM P54132 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL15896811 0.85 ALDH1A1 (0.42) CA1CA2ALDH1A1SMN1; SMN2ACHE
SCHEMBL803598 0.83 APP (0.41) APPTDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL804131 0.83 TAS1R3 (0.37) TSHRBLMALDH1A1MEN1KMT2A
SCHEMBL15896802 0.71 MAPT (0.40) MAPTHIF1AALDH1A1GAASMN1; SMN2
SCHEMBL5092494 0.69 BLM (0.51) CA12CA1CA2CA7XDH
SCHEMBL13176797 0.69 MT-CO2 (0.59) CA12CA1CA2CA7XDH
SCHEMBL5281995 0.69 BLM (0.51) CA12CA1CA2CA7XDH
SCHEMBL13400917 0.67 TDP1 (0.49) CA12CA1CA2CA7XDH
SCHEMBL19565602 0.64 TDP1 (0.66) TDP1KDM4EMAPTHSD17B10CYP1A2
SCHEMBL10756563 0.64 TDP1 (0.66) TDP1KDM4EMAPTHSD17B10CYP1A2

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 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 CA12 1313/4885CA1 483/4885CA2 114/4885

“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.