SCHEMBL786530

SCHEMBL786530

COC(=O)C(C(=O)OCc1ccc(OC)cc1)[n+]1ccn(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
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
F2RL1 P55085 1/20 0.36
CASP3 P42574 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
SCHEMBL785287 0.88 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL786332 0.85 MEN1 (0.40) KMT2ARAB9AMAPTMMP1NPC1
SCHEMBL786446 0.84 MMP9 (0.37) ALDH1A1HTTMMP9MMP1SMN1; SMN2
SCHEMBL185896 0.74 RECQL (0.36) ALDH1A1KMT2ATDP1
SCHEMBL786531 0.71 ALDH1A1 (0.42) ALDH1A1ATMHTTFABP7FABP5
SCHEMBL27985109 0.70 ALDH1A1 (0.55) ALDH1A1ATMHTTKMT2AMIF
SCHEMBL697621 0.70 ALDH1A1 (0.61) ALDH1A1ATMHTTKMT2AMIF
SCHEMBL15607973 0.68 ALDH1A1 (0.55) ALDH1A1ATMHTTFABP7FABP5
SCHEMBL8570835 0.68 ALDH1A1 (0.55) ALDH1A1ATMHTTFABP7FABP5
SCHEMBL13516887 0.68 ALDH1A1 (0.55) ALDH1A1ATMHTTFABP7FABP5

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.