SCHEMBL746852

SCHEMBL746852

COc1ccc2c(c1C=O)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ERN1 O75460 4/20 0.45
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPRF P10586 1/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
PLK1 P53350 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL746843 0.86 HPGD (0.51) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL19738077 0.83 CYP3A4 (0.36) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL20562637 0.80 PTPRF (0.46) LMNAALDH1A1ERN1POLBPTPRF
SCHEMBL10598205 0.78 PTPRF (0.44) LMNAALDH1A1ERN1CTNNB1WNT3A
SCHEMBL12998493 0.77 ALDH1A1 (0.49) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL31371848 0.76 LMNA (0.42) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL27432418 0.75 LMNA (0.44) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL16703478 0.75 LMNA (0.44) LMNAALDH1A1KDM4EHSD17B10ERN1
SCHEMBL30608694 0.74 ERN1 (0.55) ALDH1A1KDM4EERN1POLBTDP1
SCHEMBL6607327 0.74 ALDH1A1 (0.54) LMNAALDH1A1KDM4EHSD17B10ERN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
EP-2024401-A2 HIGH TEMPERATURE POLYETHYLENE SOLUTION POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-02-18 EP disclosed
WO-2007136496-A2 HIGH TEMPERATURE POLYETHYLENE SOLUTION POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-29 WO disclosed
US-5708020-A FOR TREATING SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-13 US disclosed
US-5604261-A HAVING HYDROXYL/ALKOXYL GROUP ORTHO TO AMIDE GROUP ON PHENYL RING; HIGH MELATONIN RECEPTOR AFFINITY ADIR ET COMPAGNIE (FR) 1997-02-18 US disclosed
US-5554642-A USE TO TREAT MAMMALS AFFLICTED WITH SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1996-09-10 US disclosed
EP-0591057-B1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR (FR) 1996-07-10 EP disclosed
US-5464872-A Sleep disorders ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0591057-A1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR ET COMPAGNIE (FR) 1994-04-06 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R LMNA 3789/4885ALDH1A1 715/4885KDM4E 1180/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R LMNA 3751/4885ALDH1A1 2282/4885KDM4E 2065/4885

“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.