Dodecanoate

Dodecanoate

SCHEMBL4170814

CCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
PPARG P37231 7/20 0.53
PPARD Q03181 7/20 0.53
PPARA Q07869 7/20 0.53
HDAC11 Q96DB2 5/20 0.53
TSHR P16473 4/20 0.53
PTPN1 P18031 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TLR2 O60603 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FABP4 P15090 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
MEN1 O00255 1/20 0.53
ESR1 P03372 1/20 0.53
ALOX15 P16050 1/20 0.53
PDE4A P27815 1/20 0.53
PDE3A Q14432 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
Dodecanoate SCHEMBL2695176 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Oleic Acid SCHEMBL17093445 0.92 PPARG (0.60) PPARGPPARDPPARATSHRPTPN1
Dodecanoate SCHEMBL3020834 0.88 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL28095734 0.88 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
Glucosamine SCHEMBL26624512 0.88 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
Dextrose SCHEMBL1705641 0.87 MAPK1 (0.46) PYGB
Behenic Acid SCHEMBL5360183 0.86 IGF2R (0.51) PTPN1
Cellobiose SCHEMBL7118280 0.86 IGF2R (0.51) PTPN1
Cellobiose SCHEMBL5360199 0.86 IGF2R (0.51) PTPN1
Cellobiose SCHEMBL5358771 0.86 IGF2R (0.51) PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240044-A1 PROCESS FOR THE REDUCTION OF ENDOTOXINS IN A PLASMID PREPARATION USING A CARBOHYDRATE NON-IONIC DETERGENT WITH SILICA CHROMATOGRAPHY SIGMA-ALDRICH COMPANY (US) 2009-09-24 US claimed

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-20090240044-A1 PROCESS FOR THE REDUCTION OF ENDOTOXINS IN A PLASMID PREPARATION USING A CARBOHYDRATE NON-IONIC DETERGENT WITH SILICA CHROMATOGRAPHY SI, DDOST, LITAF GPR84 3971/4885PPARG 4776/4885PPARD 3758/4885

“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.