SCHEMBL785768

SCHEMBL785768

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
ESR1 P03372 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL785948 0.92 LMNA (0.30) LMNA
SCHEMBL186623 0.87 RECQL (0.43) SMN1; SMN2MEN1KMT2AHSP90AA1TSHR
SCHEMBL786308 0.84 LPO (0.30) LMNAKMT2ACYP1A2
SCHEMBL785233 0.83 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL786334 0.83 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL186611 0.82 RECQL (0.46) SMN1; SMN2MEN1KMT2AHSP90AA1TSHR
SCHEMBL187200 0.79 RECQL (0.42) SMN1; SMN2MEN1KMT2AHSP90AA1TSHR
SCHEMBL785954 0.76 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL186571 0.75 RECQL (0.38) TSHRMAPK1HPGD
Bromide SCHEMBL7150172 0.74 LPO (0.34) LMNACYP1A2

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 ALDH1A1 834/4885ATM 4829/4885SMN1; SMN2 2787/4885

“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.