Sugi Predict

Sugi Predict / Compounds / Ether

Ether

Ether

SCHEMBL1597725

CCCCCCOC(C)CC.CCOCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.44
▸ LPAR1 Q92633 4/20 0.38
▸ LPAR3 Q9UBY5 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ CES2 O00748 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27456127 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL6575674 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL28325375 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL7777213 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL5163939 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL8390821 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL19822054 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL12978500 0.91 DNM1 (0.50) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL8400590 0.89 DNM1 (0.46) DNM1LPAR1LPAR3HTTLPAR2
SCHEMBL18124449 0.87 ALDH1A1 (0.33) DNM1LPAR1LPAR3HTTLPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 — — US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 — — US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 — — US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 — — US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 — — US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 — — US disclosed
US-7141611-B2 High molecular weight primary aliphatic alcohols obtained from natural products and uses thereof WYETH (US) 2006-11-28 — — US disclosed
EP-1390331-A4 HIGH MOLECULAR WEIGHT PRIMARY ALIPHATIC ALCOHOLS OBTAINED FROM NATURAL PRODUCTS AND USES THEREOF WYETH CORP (US) 2006-01-11 — — EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 — — US disclosed
EP-1390331-A1 HIGH MOLECULAR WEIGHT PRIMARY ALIPHATIC ALCOHOLS OBTAINED FROM NATURAL PRODUCTS AND USES THEREOF Hauser, Inc. (US) 2004-02-25 — — EP disclosed
US-20040019119-A1 High molecular weight primary aliphatic alcohols obtained from natural products and uses thereof WYETH LLC 2004-01-29 — — US disclosed
US-6596776-B2 Subjecting a natural product starting material containing primary aliphatic alcohols to liquid extraction with a liquid organic extractant in which alcohols are soluble; recovering alcohol mixture HAUSER, INC. 2003-07-22 — — US disclosed
US-20030096876-A1 High molecular weight primary aliphatic alcohols obtained from natural products and uses thereof WYETH LLC 2003-05-22 — — US disclosed
WO-2002088060-A1 HIGH MOLECULAR WEIGHT PRIMARY ALIPHATIC ALCOHOLS OBTAINED FROM NATURAL PRODUCTS AND USES THEREOF HAUSER, INC. (US) 2002-11-07 — — WO disclosed
US-5939370-A ETHERIFICATION WITH FLUOROALKYL COMPOUND AND BASIFICATION OR ACIDIFICATION TO FORM ACID OR SALT CECA S.A. (FR) 1999-08-17 — — 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 (4 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DNM1 3755/4885LPAR1 1001/4885LPAR3 941/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DNM1 3755/4885LPAR1 1001/4885LPAR3 941/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DNM1 3755/4885LPAR1 1001/4885LPAR3 941/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 DNM1 1278/4885LPAR1 246/4885LPAR3 282/4885

“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.