SCHEMBL4175337

SCHEMBL4175337

Cc1ccc(CCNC(=O)C#Cc2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MME P08473 3/20 0.47
ECE1 P42892 3/20 0.47
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL4185169 0.90 NPC1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4181935 0.87 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4174117 0.85 ECE1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4175301 0.83 FFAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4166987 0.82 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4186377 0.81 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4164307 0.81 NPC1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4173470 0.80 FFAR1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4188513 0.79 FFAR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4186329 0.79 ALDH1A1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
EP-1264930-B1 Cellulose fibers comprising radiation activatable resins PROCTER & GAMBLE (US) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
US-6887347-B2 Cellulose fibers comprising radiation activatable resin formalities THE PROCTER AND GAMBLE COMPANY (US) 2005-05-03 US disclosed
US-20040140070-A1 Cellulose fibers comprising radiation activatable resin formalities THE PROCTER & GAMBLE COMPANY 2004-07-22 US disclosed
WO-2002101139-A1 CELLULOSE FIBERS COMPRISING RADIATION ACTIVATABLE RESINS THE PROCTER & GAMBLE COMPANY (US) 2002-12-19 WO disclosed
EP-1264930-A1 Cellulose fibers comprising radiation activatable resins THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
US-6090236-A POLYMERIC WEB COATED WITH IRRADIATION-CURED RESIN PHOTOINITIATED WITH PHOTOINITIATOR HAVING A COVALENTLY BOUND SENSITIZING MOIETY SPECIFIC TO WAVELENGTH OF CURING RADIATION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-07-18 US disclosed
US-5747550-A Method of generating a reactive species and polymerizing an unsaturated polymerizable material KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-05-05 US disclosed
US-5739175-A Photoreactor composition containing an arylketoalkene wavelength-specific sensitizer KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-04-14 US disclosed
US-5709955-A LAMINATION, PHOTOREACTOR WITH WAVELENGTH-SPECIFIC SENSITIZER BONDED TO PHOTOINITIATOR KIMBERLY-CLARK CORPORATION (US) 1998-01-20 US disclosed
US-5685754-A FIBERS, WEBS, PHOTOSENSITIZER AND PHOTOINITIATOR COVALENTLY BONDED AS A PHOTOREACTOR KIMBERLY-CLARK CORPORATION (US) 1997-11-11 US disclosed
US-5686503-A PHOTOINITIATORS KIMBERLY-CLARK CORPORATION (US) 1997-11-11 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 (1 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP PLAAT3 2664/4885PLAAT5 2707/4885PLAAT2 2933/4885

“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.