SCHEMBL940127

SCHEMBL940127

COC1(OC)CCCCC1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 2/20 0.30
OPRM1 P35372 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6300227 0.93
SCHEMBL12557618 0.82
SCHEMBL9152767 0.76 SLC6A3 (0.38) SLC6A4SLC6A3MAPT
SCHEMBL24129062 0.74 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL25973802 0.74 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL24483580 0.74 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL9189204 0.73 MAPT (0.36) SLC6A4SLC6A2OPRM1MAPT
SCHEMBL1058413 0.73 SLC6A2 (0.31) SLC6A4SLC6A2OPRM1
SCHEMBL10680456 0.71 SLC6A2 (0.33) SLC6A4SLC6A2OPRM1
SCHEMBL3246813 0.71 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226920-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO.,LTD. (CN) 2023-11-30 WO disclosed
US-7868041-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-01-11 US disclosed
US-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-10-29 US disclosed
US-7569576-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2009-08-04 US disclosed
US-7307183-B2 Process for producing tetrabromobenzoate esters GREAT LAKES CHEMICAL CORPORATION (US) 2007-12-11 US disclosed
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-06-08 US disclosed
EP-1658261-A1 PROCESS FOR PRODUCING TETRABROMOBENZOATE ESTERS GREAT LAKES CHEMICAL CORPORATION (US) 2006-05-24 EP disclosed
US-7026351-B2 Gamma-aminobutyric acid (GABA); prodrugs of gabapentin and/or pregabalin; for sustained release; for treatment of pain and epilepsy XENOPORT, INC. (US) 2006-04-11 US disclosed
WO-2005016863-A1 PROCESS FOR PRODUCING TETRABROMOBENZOATE ESTERS GREAT LAKES CHEMICAL CORPORATION (US) 2005-02-24 WO disclosed
US-20050027139-A1 Process for producing tetrabromobenzoate esters GLCC LAUREL, LLC 2005-02-03 US disclosed
US-6063256-A REDUCTION OF PHTHALIDES AND CONDENSATION BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
EP-0983987-A1 Process for the preparation of alpha-diketones from ketols or from ketals of ketols BASF AKTIENGESELLSCHAFT (DE) 2000-03-08 EP disclosed
EP-0832153-A4 BENZOATES AS FLAME RETARDANTS AND/OR PLASTICIZERS GREAT LAKES CHEMICAL CORP (US) 1998-08-26 EP disclosed
EP-0825974-A4 ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS GREAT LAKES CHEMICAL CORP (US) 1998-07-08 EP disclosed
EP-0832153-A1 BENZOATES AS FLAME RETARDANTS AND/OR PLASTICIZERS GREAT LAKES CHEMICAL CORPORATION (US) 1998-04-01 EP disclosed
US-5728760-A FLAME RETARDANTS FOR POLYURETHANES; PLASTICIZERS FOR POLYVINYL CHLORIDE, RUBBERS GREAT LAKES CHEMICAL CORPORATION (US) 1998-03-17 US disclosed
EP-0825974-A1 ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS GREAT LAKES CHEMICAL CORPORATION (US) 1998-03-04 EP disclosed
US-5637757-A REACTING TETRABROMOPHTHALIC ANHYDRIDE WITH AN ALCOHOL IN PRESENCE OF A DECARBOXYLATION CATALYST GREAT LAKES CHEMICAL CORPORATION (US) 1997-06-10 US disclosed
WO-1996032368-A1 ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS GREAT LAKES CHEMICAL CORPORATION (US) 1996-10-17 WO disclosed
WO-1996032438-A1 BENZOATES AS FLAME RETARDANTS AND/OR PLASTICIZERS GREAT LAKES CHEMICAL CORPORATION (US) 1996-10-17 WO 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 (3 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-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB3, GABRB2 SLC6A4 589/4885SLC6A3 417/4885SLC6A2 715/4885
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB3, GABRB2 SLC6A4 589/4885SLC6A3 417/4885SLC6A2 715/4885
US-20050027139-A1 Process for producing tetrabromobenzoate esters TECR, ADH1C, ADH1A SLC6A4 4270/4885SLC6A3 4665/4885SLC6A2 4583/4885

“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.