SCHEMBL2290944

SCHEMBL2290944

CCCOCCOCCOC(=O)Cn1cc[n+](C)c1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
FDPS P14324 2/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL18203217 0.95 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL18203220 0.95 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMEN1APAF1NPC1
Bromide SCHEMBL2291316 0.93 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1APAF1NPC1
Bromide SCHEMBL2293299 0.93 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL2293389 0.92 MEN1 (0.40) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL2293901 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL2293358 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL2290409 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL12038001 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMEN1APAF1NPC1
SCHEMBL18203208 0.86 MEN1 (0.44) SMN1; SMN2LMNAMEN1APAF1NPC1

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 5 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 claimed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US claimed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 US claimed
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

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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 SMN1; SMN2 1425/4885LMNA 1911/4885MEN1 3355/4885

“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.