SCHEMBL4893845

SCHEMBL4893845

C[n+]1ccn(CCOCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G1B P04054 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
FDPS P14324 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.32
HTR1A P08908 1/20 0.32
PON1 P27169 1/20 0.31
THRB P10828 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
Hydrochloric Acid SCHEMBL17076982 0.98 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPK1MAPT
Iodide SCHEMBL6651538 0.96 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPK1MAPT
Acetic Acid SCHEMBL17076865 0.91 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL16674008 0.88 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2MAPK1MAPT
1-Methylimidazole SCHEMBL15575238 0.85 NFKB1 (0.41) MEN1KMT2ASMN1; SMN2MAPK1MAPT
Di(Hydroxyethyl)Ether SCHEMBL6293502 0.84 MEN1 (0.73) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL12936199 0.83 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL899258 0.83 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL718979 0.82
Hydrochloric Acid SCHEMBL16713772 0.81 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2MAPK1MAPT

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-20140174320-A1 IONIC LIQUID AND VISCOSE COMPOSITION TAIWAN TEXTILE RESEARCH INSTITUTE (TW) 2014-06-26 US disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP 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-20140174320-A1 IONIC LIQUID AND VISCOSE COMPOSITION COL2A1, COL1A1, CD44 MEN1 4293/4885KMT2A 3195/4885SMN1; SMN2 3103/4885

“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.