SCHEMBL786727

SCHEMBL786727

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 5/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
MMP8 P22894 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL186158 1.00 LMNA (0.35) LMNAL3MBTL1HSD17B10MAPTHTT
SCHEMBL187471 1.00 LMNA (0.35) LMNAL3MBTL1HSD17B10MAPTHTT
SCHEMBL186960 0.92 MEN1 (0.35) ALDH1A1KMT2ATSHRMEN1
SCHEMBL186521 0.92 MEN1 (0.35) ALDH1A1KMT2ATSHRMEN1
SCHEMBL786127 0.92 MEN1 (0.35) ALDH1A1KMT2ATSHRMEN1
SCHEMBL187927 0.91 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHR
SCHEMBL206522 0.91 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHR
SCHEMBL186932 0.91 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHR
SCHEMBL786118 0.90 CYP3A4 (0.36) L3MBTL1ALDH1A1TSHR
SCHEMBL187058 0.90 CYP3A4 (0.36) L3MBTL1ALDH1A1TSHR

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 claimed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed

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 LMNA 387/4885L3MBTL1 272/4885HSD17B10 788/4885

“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.