SCHEMBL804130

SCHEMBL804130

CCCCOC(=O)C(OC(=O)C[N+]1=CC(N)C=C1)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
EDNRA P25101 1/20 0.35
HIF1A Q16665 1/20 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
SCHEMBL803897 0.88 EDNRA (0.46) HPGDKMT2AMEN1RAB9ATAS1R3
SCHEMBL803820 0.84 TAS1R3 (0.39) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL803595 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL803648 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL803601 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL803647 0.79 NPC1 (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL803798 0.79 NPC1 (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL15896801 0.78 ALDH1A1 (0.38) ALDH1A1HPGDKMT2AMEN1KDM4E
Bromide SCHEMBL786345 0.77 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL15896809 0.76 KMT2A (0.39) ALDH1A1HPGDKMT2AMEN1KDM4E

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 ALDH1A1 834/4885HPGD 1134/4885KMT2A 3968/4885

“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.