SCHEMBL2293389

SCHEMBL2293389

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.40
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
FDPS P14324 2/20 0.33
DGKA P23743 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALOX15 P16050 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
SCHEMBL18203213 0.95 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL18203208 0.95 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
Bromide SCHEMBL2291104 0.94 MEN1 (0.47) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
Bromide SCHEMBL2293071 0.94 MEN1 (0.47) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL2290944 0.92 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL2293358 0.90 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL2293901 0.90 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL2288341 0.88 MEN1 (0.47) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL2290409 0.87 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1
SCHEMBL18203220 0.87 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2HSP90AA1APAF1

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 MEN1 3355/4885KMT2A 3862/4885SMN1; SMN2 1425/4885

“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.