SCHEMBL785800

SCHEMBL785800

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
LPO P22079 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.30
PIN1 Q13526 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
SCHEMBL786308 0.94 LPO (0.30) LMNALPOCYP1A2KMT2A
SCHEMBL785948 0.92 LMNA (0.30) LMNA
SCHEMBL785768 0.90 ALDH1A1 (0.35) LMNACYP1A2ALDH1A1MAPTHPGD
SCHEMBL785954 0.85 L3MBTL1 (0.41) LMNAALDH1A1MAPTHPGDRAB9A
Bromide SCHEMBL7150172 0.82 LPO (0.34) LMNALPOCYP1A2
Bromide SCHEMBL15258659 0.81 LPO (0.30) LMNALPOCYP1A2
SCHEMBL186611 0.80 RECQL (0.46) HPGDKMT2A
SCHEMBL786334 0.73 L3MBTL1 (0.49) ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL28554196 0.72
Bromide SCHEMBL28545552 0.72

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 LMNA 387/4885LPO 359/4885CYP1A2 1109/4885

“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.