SCHEMBL803623

SCHEMBL803623

CCCCOC(=O)C(c1ccc(C)c(OC)c1)n1cc[n+](C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL15896802 0.92 MAPT (0.40) SMN1; SMN2CYP2C19MEN1GAAMAPT
SCHEMBL804131 0.86 TAS1R3 (0.37) CYP2C19TAS1R3TAS1R1MEN1KMT2A
SCHEMBL803598 0.84 APP (0.41) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL803822 0.79 HPGD (0.42) HPGDRAB9ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL15896811 0.77 ALDH1A1 (0.42) HPGDSMN1; SMN2CYP2C19LMNAALDH1A1
SCHEMBL803770 0.75 NPSR1 (0.43) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL803545 0.75 SMN1; SMN2 (0.43) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL786335 0.67 L3MBTL1 (0.49) SMN1; SMN2MEN1MAPTKMT2AL3MBTL1
SCHEMBL786456 0.67 L3MBTL1 (0.49) SMN1; SMN2MEN1MAPTKMT2AL3MBTL1
SCHEMBL785234 0.67 L3MBTL1 (0.49) SMN1; SMN2MEN1MAPTKMT2AL3MBTL1

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 NPC1 1252/4885HPGD 1134/4885RAB9A 4843/4885

“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.