SCHEMBL803594

SCHEMBL803594

COC(=O)C(OC(=O)C[N+]1=CC(N)C=C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
KLK7 P49862 7/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 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
SCHEMBL803817 1.00 KMT2A (0.39) KMT2AKLK7ALDH1A1MEN1TDP1
SCHEMBL803821 0.89 L3MBTL1 (0.34) KMT2AMEN1
SCHEMBL803819 0.89 MMP8 (0.38) KMT2AALDH1A1MEN1
SCHEMBL803596 0.88 CYP1A2 (0.31) ALDH1A1
SCHEMBL803813 0.87 ESR1 (0.32) KLK7
SCHEMBL803595 0.85 ALDH1A1 (0.38) KMT2AALDH1A1MEN1TDP1
SCHEMBL803650 0.85 KDM4E (0.35) KMT2AALDH1A1MEN1
SCHEMBL803647 0.85 NPC1 (0.40) ALDH1A1
SCHEMBL803798 0.85 NPC1 (0.40) ALDH1A1
SCHEMBL803897 0.80 EDNRA (0.46) KMT2AMEN1

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 KMT2A 3968/4885KLK7 4679/4885ALDH1A1 834/4885

“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.