Ether

Ether

SCHEMBL10321981

C=CCc1ccc(-c2cc(CC=C)cc(O)c2O)cc1.CCOCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.58
PARP1 P09874 1/20 0.58
TNKS2 Q9H2K2 1/20 0.55
GABRA1 P14867 12/20 0.49
GABRB2 P47870 12/20 0.49
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH2 P05091 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 4/20 0.46

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
SCHEMBL10321982 0.77 TNKS (0.52) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL8118653 0.77 TNKS (0.79) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL17546624 0.76 TNKS (0.68) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL29009100 0.74 TNKS (0.65) TNKSPARP1TNKS2GABRA1GABRB2
Ether SCHEMBL2462711 0.72 KDM4E (0.48) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL2493537 0.71 TNKS (0.63) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL24161890 0.71 TNKS (1.00) TNKSPARP1TNKS2GABRA1GABRB2
SCHEMBL8725419 0.71 ALDH1A1 (0.48) GABRA1GABRB2CNR2CNR1MEN1
SCHEMBL8731487 0.71 ALDH1A1 (0.48) GABRA1GABRB2CNR2CNR1MEN1
SCHEMBL11817910 0.71 GABRA1 (0.52) TNKSPARP1TNKS2GABRA1GABRB2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017183864-A1 COMPOSITION FOR NOROVIRUS CULTURE AND METHOD FOR NOROVIRUS CULTURE 전남대학교산학협력단 2017-10-26 WO claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
WO-2017183864-A1 COMPOSITION FOR NOROVIRUS CULTURE AND METHOD FOR NOROVIRUS CULTURE 전남대학교산학협력단 2017-10-26 WO disclosed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 TNKS 1755/4885PARP1 3616/4885TNKS2 1714/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 TNKS 1755/4885PARP1 3616/4885TNKS2 1714/4885

“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.