Octanol

Octanol

SCHEMBL2214937

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
ACE2 Q9BYF1 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
Valine SCHEMBL8022867 0.92 SLC7A5 (0.62) SLC7A5LMNAALDH1A1HSD17B10MEN1
Dodecane SCHEMBL28109673 0.92 SLC7A5 (0.68) SLC7A5ALDH1A1HSD17B10MEN1KMT2A
Valine SCHEMBL11005807 0.92 SLC7A5 (0.68) SLC7A5ALDH1A1HSD17B10MEN1KMT2A
Cetostearyl Alcohol SCHEMBL28667843 0.92 SLC7A5 (0.48) SLC7A5LMNAALDH1A1HSD17B10MEN1
Valine SCHEMBL1685902 0.90 SLC7A5 (0.71) SLC7A5GPR84FFAR1SLC1A2SLC1A1
Valine SCHEMBL4045692 0.90 SLC7A5 (0.71) SLC7A5SMN1; SMN2GRIK1GRIK2ACE2
Cetostearyl Alcohol SCHEMBL28062109 0.88 TSHR (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
Dodecanol SCHEMBL27822378 0.88 TSHR (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
Dodecanol SCHEMBL27776170 0.86 TSHR (0.56) LMNAALDH1A1HSD17B10MEN1KMT2A
Valine SCHEMBL30099875 0.86 SLC7A5 (0.71) SLC7A5GRIK1GRIK2SLC1A2SLC1A1

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 SLC7A5 211/4885LMNA 2334/4885ALDH1A1 1375/4885
US-20110178011-A1 Polysaccharide/BMP complexes which are soluble at physiological pH BMP1, BMP2, BMP6 SLC7A5 1111/4885LMNA 3044/4885ALDH1A1 4652/4885

“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.