SCHEMBL786531

SCHEMBL786531

COC(=O)C(C(=O)OCc1ccc(OC)cc1)n1cc[n+](C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.40
HTT P42858 2/20 0.40
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
P2RX4 Q99571 1/20 0.38
KMT2A Q03164 3/20 0.37
MIF P14174 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
LDHA P00338 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL786570 0.88 ALDH1A1 (0.41) ALDH1A1ATMKMT2ARAB9AMAPT
Bromide SCHEMBL785301 0.87 SMN1; SMN2 (0.45) ALDH1A1HTTFABP7FABP5KMT2A
Bromide SCHEMBL187249 0.87 ALDH1A1 (0.40) ALDH1A1P2RX4KMT2ARAB9AMAPT
SCHEMBL786447 0.84 TBXAS1 (0.36) HTTKMT2AMMP9MMP1SMN1; SMN2
Bromide SCHEMBL786454 0.84 MEN1 (0.40) KMT2AMAPTMMP1MMP12
SCHEMBL785882 0.81 KMT2A (0.34) ALDH1A1ATMHTTFABP7FABP5
SCHEMBL785955 0.78 L3MBTL1 (0.44) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL785790 0.78 L3MBTL1 (0.44) ALDH1A1KMT2ARAB9AMAPTNPC1
Bromide SCHEMBL187494 0.77 L3MBTL1 (0.43) ALDH1A1P2RX4KMT2ARAB9AMAPT
Bromide SCHEMBL187479 0.77 L3MBTL1 (0.43) ALDH1A1P2RX4KMT2ARAB9AMAPT

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 834/4885ATM 4829/4885HTT 1639/4885

“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.