Octane

Octane

SCHEMBL486903

CCCCCCCC.O=C1CCCC1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.56
TRIM33 Q9UPN9 2/20 0.56
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
ALOX5 P09917 2/20 0.42
MGLL Q99685 3/20 0.41
CYP1A2 P05177 2/20 0.41
FAAH O00519 2/20 0.41
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SLC2A1 P11166 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Cyclooctanone SCHEMBL487407 0.97 TRIM24 (0.58) TRIM24TRIM33ALDH1A1TSHRTHRB
Heptane SCHEMBL18422382 0.97 TRIM24 (0.58) TRIM24TRIM33ALDH1A1TSHRTHRB
Cyclohexanone SCHEMBL27684650 0.97 TRIM24 (0.58) TRIM24TRIM33ALDH1A1TSHRTHRB
Octane SCHEMBL486879 0.97 TRIM24 (0.58) TRIM24TRIM33ALDH1A1TSHRTHRB
Cyclohexanone SCHEMBL14919548 0.94 TRIM24 (0.61) TRIM24TRIM33ALDH1A1TSHRTHRB
Cyclopentanone SCHEMBL27766726 0.92 TRIM24 (0.59) TRIM24TRIM33ALDH1A1TSHRALOX5
Octane SCHEMBL27685572 0.92 TSHR (0.47) TRIM24TRIM33ALDH1A1TSHRTHRB
Cyclohexanone SCHEMBL16060144 0.89 TRIM24 (0.61) TRIM24TRIM33ALDH1A1TSHRALOX5
1-Heptanol SCHEMBL11230111 0.87 ALDH1A1 (0.54) TRIM24TRIM33ALDH1A1TSHRALOX5
Dodecanol SCHEMBL8896672 0.87 ALDH1A1 (0.54) TRIM24TRIM33ALDH1A1TSHRALOX5

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
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 EP 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-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 TRIM24 2348/4885TRIM33 2478/4885ALDH1A1 1198/4885

“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.