SCHEMBL785451

SCHEMBL785451

CCOC(=O)C(C(=O)OCc1ccccc1)[n+]1ccn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MMP8 P22894 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIN1 Q13526 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL785954 1.00 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL785287 0.90 ALDH1A1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL786334 0.88 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTKMT2AMAPK1
SCHEMBL785233 0.88 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTKMT2AMAPK1
SCHEMBL786055 0.88 ALDH1A1 (0.35) L3MBTL1LMNAALDH1A1MAPTHSD17B10
SCHEMBL186468 0.84 RECQL (0.37) L3MBTL1ALDH1A1MAPK1TDP1HPGD
SCHEMBL186444 0.78 TSHR (0.40) L3MBTL1LMNAALDH1A1MAPK1TDP1
SCHEMBL186933 0.78 TSHR (0.40) L3MBTL1LMNAALDH1A1MAPK1TDP1
SCHEMBL786530 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL185896 0.78 RECQL (0.36) L3MBTL1ALDH1A1KMT2AMAPK1TDP1

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.