SCHEMBL2288341

SCHEMBL2288341

CCCCOC(=O)Cn1cc[n+](C)c1

nearest known ligand 0.51

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
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G1B P04054 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
NAAA Q02083 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FDPS P14324 2/20 0.38

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
Bromide SCHEMBL2296143 0.98 MEN1 (0.50) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL2782994 0.95 MEN1 (0.50) MEN1KMT2ASMN1; SMN2APAF1NPC1
Bromide SCHEMBL2293049 0.94 MEN1 (0.53) MEN1KMT2ASMN1; SMN2APAF1NPC1
Bromide SCHEMBL2292015 0.93 MEN1 (0.55) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL18203208 0.93 MEN1 (0.44) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL18203213 0.93 MEN1 (0.44) MEN1KMT2ASMN1; SMN2APAF1NPC1
Bromide SCHEMBL2291104 0.92 MEN1 (0.47) MEN1KMT2ASMN1; SMN2APAF1NPC1
Bromide SCHEMBL2293071 0.92 MEN1 (0.47) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL12038001 0.91 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2APAF1NPC1
SCHEMBL2293389 0.88 MEN1 (0.40) MEN1KMT2ASMN1; SMN2APAF1NPC1

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
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 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 (2 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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 MEN1 3355/4885KMT2A 3862/4885SMN1; SMN2 1425/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 MEN1 2209/4885KMT2A 4341/4885SMN1; SMN2 1096/4885

“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.