Glutarate

Glutarate

SCHEMBL929306

Br.Br.O=C(O)CCCC(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Glutarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.92
LMNA P02545 4/20 0.77
TSHR P16473 6/20 0.71
NFKB1 P19838 2/20 0.71
PMP22 Q01453 1/20 0.71
CAMK2A Q9UQM7 1/20 0.62
ALKBH5 Q6P6C2 1/20 0.61
SUCNR1 Q9BXA5 1/20 0.61
EGLN1 Q9GZT9 1/20 0.61
HDAC11 Q96DB2 4/20 0.59
KMT2A Q03164 2/20 0.59
GABRR3 A8MPY1 1/20 0.59
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
HDAC3 O15379 1/20 0.59
GABBR2 O75899 1/20 0.59
CYP1A2 P05177 1/20 0.59
THRB P10828 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59

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
Glutarate SCHEMBL9805513 1.00 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL27737294 0.96 SLC22A6 (0.85) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL158774 0.96 SLC22A6 (1.00) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL27601182 0.96 SLC22A6 (1.00) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL7414 0.96
Glutarate SCHEMBL6701735 0.96
Glutarate SCHEMBL162952 0.92 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL8618878 0.92 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL1527796 0.92 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL11453117 0.92 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1338934-A Mono-acyloxy aralkyl neuronuscular relaxants NEWLAXANT L L C (US) 2002-03-06 CN claimed
CN-1280578-A Bis-quaternary ammonium derivatives as neuromuscular relaxants NEWLAKSONT CO LTD (US) 2001-01-17 CN claimed
EP-1025099-A1 BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS Gyermek, Laszlo (US) 2000-08-09 EP claimed
WO-1999021854-A1 BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS NEWLAXANT LLC (US) 1999-05-06 WO claimed
EP-2927250-B1 (FUMARIC ACID DIESTER)-(CINNAMIC ACID ESTER) COPOLYMER, METHOD FOR PRODUCING SAME, AND FILM PRODUCED USING SAME TOSOH CORP (JP) 2017-08-16 EP disclosed
US-9512284-B2 Fumaric acid diester-cinnamic acid ester-based copolymer, production method thereof and film using the same TOSOH CORPORATION (JP) 2016-12-06 US disclosed
US-9321017-B2 Gas-separation membrane NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2016-04-26 US disclosed
US-20150291751-A1 FUMARIC ACID DIESTER-CINNAMIC ACID ESTER-BASED COPOLYMER, PRODUCTION METHOD THEREOF AND FILM USING THE SAME TOSOH CORPORATION (JP) 2015-10-15 US disclosed
EP-2927250-A1 (FUMARIC ACID DIESTER)-(CINNAMIC ACID ESTER) COPOLYMER, METHOD FOR PRODUCING SAME, AND FILM PRODUCED USING SAME Tosoh Corporation (JP) 2015-10-07 EP disclosed
US-20150033945-A1 GAS-SEPARATION MEMBRANE NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2015-02-05 US disclosed
US-8222446-B2 Method for producing dihydroxybenzene derivative MITSUI CHEMICALS, INC. (JP) 2012-07-17 US disclosed
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2011-01-06 US disclosed
EP-2269976-A1 PROCESS FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2011-01-05 EP disclosed
US-7101630-B2 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-09-05 US disclosed
US-20050008893-A1 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-01-13 US disclosed
US-6376510-B1 ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS NEWLAXANT LLC 2002-04-23 US disclosed
CN-1338934-A Mono-acyloxy aralkyl neuronuscular relaxants NEWLAXANT L L C (US) 2002-03-06 CN disclosed
US-4252529-A AMINOPHENOL OR AMINONAPHTHOL COMPOUND WITH SUBSTITUTED FIBER-REACTIVE RADICAL HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 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-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE UBE2B, UBE2G2, TUBB2B SLC22A6 2998/4885LMNA 3340/4885TSHR 2733/4885

“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.