Hexanoate

Hexanoate

SCHEMBL160301

CCCCCC(=O)O.CCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 1.00
GPR84 Q9NQS5 7/20 0.94
PPARG P37231 7/20 0.94
PPARD Q03181 7/20 0.94
PPARA Q07869 7/20 0.94
HDAC11 Q96DB2 5/20 0.94
TSHR P16473 4/20 0.94
PTPN1 P18031 3/20 0.94
FABP4 P15090 3/20 0.94
ALDH1A1 P00352 2/20 0.94
TLR2 O60603 2/20 0.94
TDP1 Q9NUW8 2/20 0.94
KMT2A Q03164 2/20 0.94
ALOX15 P16050 2/20 0.94
HSD17B10 Q99714 2/20 0.94
SLC22A6 Q4U2R8 1/20 0.94
SLC22A8 Q8TCC7 1/20 0.94
MEN1 O00255 1/20 0.94
ESR1 P03372 1/20 0.94
PDE4A P27815 1/20 0.94

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
Hexanoate SCHEMBL3867 1.00
Adipic Acid SCHEMBL31546519 1.00 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1330703 1.00
Hexanoate SCHEMBL1332504 1.00
Hexanoate SCHEMBL4619316 1.00 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL28202055 1.00 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27362881 1.00 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL2065667 1.00 AKR1B1 (1.00) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL29695652 1.00
Dodecanoate SCHEMBL25293218 0.97 GPR84 (1.00) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-11-17 US claimed
EP-2382216-A1 SALT FORMS OF ORGANIC COMPOUND Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP claimed
WO-2011047254-A1 PROCESS FOR MAKING FATTY AMIDES HARCROS CHEMICALS INC. (US) 2011-04-21 WO claimed
US-12442026-B2 Production of fatty acyl-CoA in yeast using a fatty acid feedstock PYRONE SYSTEMS, INC. (US) 2025-10-14 US disclosed
US-20240384314-A1 PRODUCTION OF CANNABINOIDS IN YEAST USING A FATTY ACID FEEDSTOCK PYRONE SYSTEMS, INC. 2024-11-21 US disclosed
US-20240226195-A1 MICROBIAL CONSORTIUM AND USES THEREOF BIOMICA LTD. (IL) 2024-07-11 US disclosed
EP-4337233-A1 MICROBIAL CONSORTIUM AND USES THEREOF Biomica Ltd. (IL) 2024-03-20 EP disclosed
US-11884948-B2 Genetically modified organisms for production of polyketides PYRONE SYSTEMS, INC. (US) 2024-01-30 US disclosed
US-11638727-B2 Probiotics and probiotic compositions for regulating body weight University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-05-02 US disclosed
CN-115845741-A Fouling protection of oligomerization reactor inlet 切弗朗菲利浦化学公司 2023-03-28 CN disclosed
WO-2022239012-A1 MICROBIAL CONSORTIUM AND USES THEREOF BIOMICA LTD. (IL) 2022-11-17 WO disclosed
US-20030096030-A1 Extracting materials from the shell of Xanthoceras sorbifolia Bunge and applying the extracted materials to making drugs and functional foods WANG SONGJIANG (US) 2003-05-22 US disclosed
CN-1104477-C Mar-resistant oligomeric-based coatings DU PONT (US) 2003-04-02 CN disclosed
CN-1391589-A Clear coating composition having improved early hardness and water resistance DU PONT (US) 2003-01-15 CN disclosed
US-6287624-B1 CAPROIC ACID DIGLYCERIDE KAO CORPORATION (JP) 2001-09-11 US disclosed
EP-0970615-A1 FOOD CONTAINING FAT OR OIL Kao Corporation (JP) 2000-01-12 EP disclosed
US-5955081-A TREATMENT OF SKIN DISORDERS WITH PLANT EXTRACTS Z-92, INC. 1999-09-21 US disclosed
CN-1225110-A Mar resistant coatings based on oligomers DU PONT (US) 1999-08-04 CN disclosed
US-5852060-A Antipsoriatic compositions, method of making, and method of using MOADY MARZOOK (US) 1998-12-22 US disclosed
US-4740546-A POLYOXYETHYLENE-CONTAINING VINYL MONOMER; POLYMERIZING WITH VINYL MONOMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-04-26 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-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 AKR1B1 1127/4885GPR84 1333/4885PPARG 805/4885

“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.