SCHEMBL803791

SCHEMBL803791

CCCCOC(=O)C(c1ccc(O)c(O)c1)[n+]1ccn(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.41
ESR1 P03372 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL186927 0.73 APP (0.51) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL186928 0.73 APP (0.51) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL785768 0.73 ALDH1A1 (0.35) ESR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL803598 0.73 APP (0.41) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL786334 0.70 L3MBTL1 (0.49) L3MBTL1TSHRMAPK1TDP1
SCHEMBL785233 0.70 L3MBTL1 (0.49) L3MBTL1TSHRMAPK1TDP1
SCHEMBL4448685 0.70 APP (0.48) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL4448687 0.67 SMN1; SMN2 (0.52) APPESR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL786171 0.66 CYP3A4 (0.48) SMN1; SMN2L3MBTL1NPC1HPGDRAB9A
SCHEMBL2288348 0.66 MEN1 (0.43) SMN1; SMN2L3MBTL1HPGDTSHRLMNA

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 4 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-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
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 APP 3776/4885ESR1 3333/4885SMN1; 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.