Dodecane

Dodecane

SCHEMBL5901080

CCCCCCCCCCCC.COC(=O)Cc1cccs1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CTDSP1 Q9GZU7 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
BLM P54132 2/20 0.50
GAPDH P04406 1/20 0.50
ALOX15 P16050 1/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
PTPN7 P35236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL236205 0.90 HPGD (0.56) ALDH1A1POLBL3MBTL1CTDSP1MEN1
Hydrochloric Acid SCHEMBL27610313 0.89 HPGD (0.54) ALDH1A1POLBL3MBTL1CTDSP1MEN1
Acetone SCHEMBL29448975 0.87 HPGD (0.53) ALDH1A1POLBL3MBTL1CTDSP1MEN1
SCHEMBL27504010 0.85 ALDH1A1 (0.53) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL9495815 0.83 ALDH1A1 (0.54) ALDH1A1TSHRPOLBL3MBTL1CTDSP1
SCHEMBL9498848 0.81 ALDH1A1 (0.59) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL9495408 0.78 NPC1 (0.58) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL27905517 0.78 SMN1; SMN2 (0.50) ALDH1A1POLBL3MBTL1CTDSP1MEN1
SCHEMBL358221 0.77 POLB (0.60) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL11792109 0.76 SMN1; SMN2 (0.61) ALDH1A1TSHRPOLBL3MBTL1SMN1; SMN2

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-20060135785-A1 Alpha-phenyl acetanilide derivatives having an acat inhibiting activity and the therapeutic application thereof PIERRE FABRE MEDICAMENT (FR) 2006-06-22 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 (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-20060135785-A1 Alpha-phenyl acetanilide derivatives having an acat inhibiting activity and the therapeutic application thereof ACAT2, ACAT1, LCAT ALDH1A1 195/4885TSHR 4783/4885POLB 3001/4885

“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.