Hexanoate

Hexanoate

SCHEMBL4479372

CC(C)O.CCCCCC(=O)O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.80
GPR84 Q9NQS5 7/20 0.76
PPARG P37231 7/20 0.76
PPARD Q03181 7/20 0.76
PPARA Q07869 7/20 0.76
HDAC11 Q96DB2 5/20 0.76
TSHR P16473 4/20 0.76
PTPN1 P18031 3/20 0.76
FABP4 P15090 3/20 0.76
ALDH1A1 P00352 2/20 0.76
TLR2 O60603 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
FFAR1 O14842 2/20 0.76
FFAR4 Q5NUL3 2/20 0.76
KMT2A Q03164 2/20 0.76
ALOX15 P16050 2/20 0.76
HSD17B10 Q99714 2/20 0.76
SLC22A6 Q4U2R8 1/20 0.76
SLC22A8 Q8TCC7 1/20 0.76
MEN1 O00255 1/20 0.76

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
Decanoic Acid SCHEMBL1682245 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL28534845 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL6559646 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL11054069 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL15603224 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL25269213 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL10489552 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL9748587 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL6567029 0.98 GPR84 (0.81) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL1682224 0.95 GPR84 (0.77) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517993-B2 Pioglitazone hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-14 US disclosed
US-20070043094-A1 Pioglitazone hydrochloride ETHICON ENDO-SURGERY, INC. 2007-02-22 US disclosed
US-7135485-B2 Crystallization by dissolving in solvent, mixing with water, precipitation; antihyperglycemic agents TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-11-14 US disclosed
US-20030139603-A1 Pioglitazone hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-07-24 US disclosed
WO-2003026586-A2 PIOGLITAZONE HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-04-03 WO disclosed
US-5866306-A POLYALKYLPHENYLSILANE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-02-02 US disclosed
US-5204226-A N-sulfosuccinimides as photodegradation promoters for making integrated circuits using positive photoresists INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-04-20 US disclosed
EP-0502662-A1 Process for use of photosensitive polysilanes as a photoresist International Business Machines Corporation (US) 1992-09-09 EP disclosed
EP-0502677-A1 Photosensitizers for polysilanes International Business Machines Corporation (US) 1992-09-09 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-20070043094-A1 Pioglitazone hydrochloride PPARA, GLP1R, PPARD AKR1B1 1577/4885GPR84 1768/4885PPARG 5/4885
US-20030139603-A1 Pioglitazone hydrochloride PPARA, GLP1R, PPARD AKR1B1 1577/4885GPR84 1768/4885PPARG 5/4885

“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.