SCHEMBL786109

SCHEMBL786109

CCCCCCCCOS(=O)(=O)[O-].CCCCCOC(=O)Cn1cc[n+](C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.47
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
APAF1 O14727 5/20 0.43
HSP90AA1 P07900 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
PLA2G1B P04054 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NAAA Q02083 1/20 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
SCHEMBL2296163 0.99 RECQL (0.46) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2290455 0.94 RECQL (0.43) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2293827 0.94 RECQL (0.43) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2289760 0.94 RECQL (0.43) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2292023 0.94 RECQL (0.43) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2295489 0.94 RECQL (0.43) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2290155 0.93 RECQL (0.42) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2287427 0.93 RECQL (0.42) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2296044 0.92 RECQL (0.41) RECQLMAPK1GLAHPGDTSHR
SCHEMBL2294727 0.91 RECQL (0.40) RECQLMAPK1GLAHPGDTSHR

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-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-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
EP-2223915-A1 Ionic liquid solvents Dublin City University (IE) 2010-09-01 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 (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 RECQL 3537/4885MAPK1 2984/4885GLA 2515/4885
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 RECQL 3900/4885MAPK1 2661/4885GLA 2779/4885

“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.