SCHEMBL786334

SCHEMBL786334

CCCCOC(=O)[C@@H](C(=O)OCc1ccccc1)[n+]1ccn(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.37
CETP P11597 3/20 0.36
ALOX15 P16050 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL785233 1.00 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL186444 0.89 TSHR (0.40) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL186933 0.89 TSHR (0.40) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL785451 0.88 L3MBTL1 (0.41) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL785954 0.88 L3MBTL1 (0.41) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL786573 0.86 ALDH1A1 (0.41) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL785287 0.86 ALDH1A1 (0.41) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL187568 0.83 RECQL (0.37) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL186468 0.83 RECQL (0.37) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL185896 0.82 RECQL (0.36) L3MBTL1ALDH1A1TSHRTDP1CYP3A4

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 272/4885ALDH1A1 834/4885TSHR 4680/4885

“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.