Hexanoate

Hexanoate

SCHEMBL21145145

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

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.76
GPR84 Q9NQS5 7/20 0.73
PPARG P37231 7/20 0.73
PPARD Q03181 7/20 0.73
PPARA Q07869 7/20 0.73
HDAC11 Q96DB2 5/20 0.73
TSHR P16473 4/20 0.73
PTPN1 P18031 3/20 0.73
ALDH1A1 P00352 3/20 0.73
TLR2 O60603 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
FABP4 P15090 2/20 0.73
KMT2A Q03164 2/20 0.73
FFAR1 O14842 2/20 0.73
FFAR4 Q5NUL3 2/20 0.73
ALOX15 P16050 2/20 0.73
HSD17B10 Q99714 2/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
SLC22A8 Q8TCC7 1/20 0.73
MEN1 O00255 1/20 0.73

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
Undecanoate SCHEMBL21145089 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL21145185 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL21145275 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL21145075 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL21145131 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL7720492 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL21145159 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1836892 0.93 AKR1B1 (0.73) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL21145338 0.93 AKR1B1 (0.64) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL1833641 0.91 GPR84 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 AKR1B1 1783/4885GPR84 820/4885PPARG 1304/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK AKR1B1 1502/4885GPR84 1021/4885PPARG 965/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA AKR1B1 1731/4885GPR84 1071/4885PPARG 2195/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 AKR1B1 1397/4885GPR84 1347/4885PPARG 1377/4885

“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.