SCHEMBL785955

SCHEMBL785955

CCOC(=O)[C@@H](C(=O)OCc1ccccc1)n1cc[n+](C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.41
MMP8 P22894 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTR2C P28335 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PIN1 Q13526 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 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
SCHEMBL785790 1.00 L3MBTL1 (0.44) L3MBTL1LMNAALDH1A1MMP8HSD17B10
SCHEMBL785452 1.00 L3MBTL1 (0.44) L3MBTL1LMNAALDH1A1MMP8HSD17B10
Bromide SCHEMBL187293 0.99 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MMP8HSD17B10
Bromide SCHEMBL187494 0.99 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MMP8HSD17B10
Bromide SCHEMBL187479 0.99 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MMP8HSD17B10
SCHEMBL785288 0.90 ALDH1A1 (0.41) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL786570 0.90 ALDH1A1 (0.41) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL786574 0.90 ALDH1A1 (0.41) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL186277 0.89 ALDH1A1 (0.40) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL187249 0.89 ALDH1A1 (0.40) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2

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 L3MBTL1 272/4885LMNA 387/4885ALDH1A1 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.