SCHEMBL805595

SCHEMBL805595

CCCCCOC(=O)C[n+]1ccn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.45
NPSR1 Q6W5P4 2/20 0.40
RAD52 P43351 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.38
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL12419203 0.99 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL2293055 0.99 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL1412163 0.97 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL6115511 0.97 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL2292021 0.97 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
SCHEMBL2288348 0.95 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL2296154 0.94 MEN1 (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL2799573 0.90 MEN1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA
Bromide SCHEMBL6115324 0.88 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12380414 0.87 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2NAAA

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 8 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-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 US disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed
EP-2223915-A1 Ionic liquid solvents Dublin City University (IE) 2010-09-01 EP disclosed
WO-2009024607-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2009-02-26 WO 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 MEN1 3011/4885HSP90AA1 3719/4885KMT2A 3968/4885
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 MEN1 3355/4885HSP90AA1 1155/4885KMT2A 3862/4885

“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.