Sugi Predict

Sugi Predict / Compounds / Dodecanol

Dodecanol

Dodecanol

SCHEMBL2214038

CCCCCCCCCCCCO.CCCCCCCCCCCCO.N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SSTR1SSTR2SSTR3SSTR5

The experimentally established mechanism targets of Dodecanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 5/20 0.54
▸ GRIK2 Q13002 4/20 0.54
▸ SLC1A2 P43004 3/20 0.51
▸ SLC1A1 P43005 3/20 0.51
▸ SLC1A3 P43003 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GPR84 Q9NQS5 5/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ S1PR1 P21453 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42

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
Dodecanol SCHEMBL31116708 1.00 GRIK1 (0.54) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Aspartic Acid SCHEMBL2213924 1.00 GRIK1 (0.54) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Dodecanol SCHEMBL31116714 0.98 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Aspartic Acid SCHEMBL7158842 0.86 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Palmitic Acid SCHEMBL30579949 0.85 GPR84 (0.63) GRIK1GRIK2LMNAALDH1A1TSHR
Octadecylamine SCHEMBL28985934 0.85 GRIK1 (0.54) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Palmitic Acid SCHEMBL22635743 0.85 GPR84 (0.63) GRIK1GRIK2LMNAALDH1A1TSHR
Dodecanoate SCHEMBL31258580 0.85 GPR84 (0.63) GRIK1GRIK2LMNAALDH1A1TSHR
Dodecanol SCHEMBL30392850 0.85 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Cetostearyl Alcohol SCHEMBL27937331 0.85 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245246-A1 POLYSACCHARIDES COMPRISING CARBOXYL FUNCTIONAL GROUPS SUBSTITUTED BY A HYDROPHOBIC ALCOHOL DERIVATIVE ADOCIA (FR) 2013-09-19 — — US disclosed
US-20110178011-A1 Polysaccharide/BMP complexes which are soluble at physiological pH ADOCIA (FR) 2011-07-21 — — 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 (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-20130245246-A1 POLYSACCHARIDES COMPRISING CARBOXYL FUNCTIONAL GROUPS SUBSTITUTED BY A HYDROPHOBIC ALCOHOL DERIVATIVE CD44, B3GAT3, UGCG GRIK1 1714/4885GRIK2 1352/4885SLC1A2 2708/4885
US-20110178011-A1 Polysaccharide/BMP complexes which are soluble at physiological pH BMP1, BMP2, BMP6 GRIK1 4295/4885GRIK2 4017/4885SLC1A2 4300/4885

“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.