Dodecanoate

Dodecanoate

SCHEMBL21145101

CCCCCCCCCCCC(=O)O.Nc1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.63
PPARG P37231 7/20 0.63
PPARD Q03181 7/20 0.63
PPARA Q07869 7/20 0.63
HDAC11 Q96DB2 5/20 0.63
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TLR2 O60603 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
FABP4 P15090 2/20 0.63
KMT2A Q03164 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
MEN1 O00255 1/20 0.63
ESR1 P03372 1/20 0.63
PDE4A P27815 1/20 0.63
PDE3A Q14432 1/20 0.63

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
Octanoic Acid SCHEMBL21145256 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL21145286 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL21145123 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL21145022 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL21145269 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL21145020 0.98 AKR1B1 (0.61) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL21145287 0.92 AKR1B1 (0.52) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8366235 0.92 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8366236 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL11783043 0.86 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11

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 4 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
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 GPR84 820/4885PPARG 1304/4885PPARD 1564/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK GPR84 1021/4885PPARG 965/4885PPARD 1180/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA GPR84 1071/4885PPARG 2195/4885PPARD 2918/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 GPR84 1347/4885PPARG 1377/4885PPARD 2055/4885

“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.