Hexanoate

Hexanoate

SCHEMBL21404079

CCCCCC(=O)O.CN1CC(=O)NC1=N

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
FABP4 P15090 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
PDE4A P27815 1/20 0.46

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
Stearic Acid SCHEMBL21404066 0.99 GPR84 (0.49) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL21404086 0.94 CRBN (0.42) AKR1B1GPR84PPARGPPARDPPARA
Oleic Acid SCHEMBL21404069 0.91 PPARG (0.56) PPARGPPARDPPARATSHRPTPN1
Creatinine SCHEMBL21404062 0.88 CRBN (0.45) TSHRALDH1A1TDP1KMT2AALOX15
Creatinine SCHEMBL21404094 0.81 CRBN (0.45) ALDH1A1TDP1KMT2AMEN1MAPT
Creatinine SCHEMBL28491793 0.77 CRBN (0.56) ALDH1A1TDP1KMT2AMEN1MAPT
Creatinine SCHEMBL21404081 0.75
Creatinine SCHEMBL21611899 0.75 CRBN (0.39) ALDH1A1TDP1KMT2AMEN1MAPT
Creatinine SCHEMBL21404087 0.74 CRBN (0.45) TSHRALDH1A1TDP1KMT2AMEN1
Hexanoate SCHEMBL8761793 0.74 AKR1B1 (0.61) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-06-29 US disclosed
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-03-02 US disclosed
US-11154499-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2021-10-26 US disclosed
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2021-08-19 US disclosed
US-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2020-08-06 US disclosed
WO-2019191338-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2019-10-03 WO disclosed
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2019-10-03 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 (6 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-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN AKR1B1 278/4885GPR84 1659/4885PPARG 2095/4885
US-11154499-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN AKR1B1 278/4885GPR84 1659/4885PPARG 2095/4885
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB AKR1B1 266/4885GPR84 1812/4885PPARG 2723/4885
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB AKR1B1 184/4885GPR84 1617/4885PPARG 2474/4885
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB AKR1B1 266/4885GPR84 1812/4885PPARG 2723/4885
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN AKR1B1 278/4885GPR84 1659/4885PPARG 2095/4885

“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.