SCHEMBL786335

SCHEMBL786335

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 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
LMNA P02545 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL785234 1.00 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL786456 1.00 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL186789 0.99 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL186810 0.99 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL187506 0.99 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL786174 0.97 TSHR (0.45) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL786184 0.97 TSHR (0.45) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL786415 0.97 TSHR (0.45) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL186667 0.96 TSHR (0.44) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL186929 0.96 TSHR (0.44) 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.