Octane

Octane

SCHEMBL4906557

CC(C)C(=O)C(C)C.CCCCCCCC

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
FAAH O00519 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
Heptane SCHEMBL9063842 1.00 CES2 (0.50) CES2CES1LMNAMEN1KMT2A
SCHEMBL15544421 0.83 CA1 (0.59) GPR84PPARDFFAR1FFAR4
SCHEMBL25834839 0.83 CA2 (0.55) MAPK1GPR84PPARDFFAR1
SCHEMBL12044763 0.83 CA2 (0.55) MAPK1GPR84PPARDFFAR1
SCHEMBL19115177 0.83 CA2 (0.55) MAPK1GPR84PPARDFFAR1
SCHEMBL12044409 0.83 CA2 (0.55) MAPK1GPR84PPARDFFAR1
Octane SCHEMBL28234048 0.82 GPR84 (0.58) MEN1KMT2AGPR84PPARGPPARD
Pentadecane SCHEMBL28168073 0.82 GPR84 (0.58) MEN1KMT2AGPR84PPARGPPARD
Heptane SCHEMBL28164569 0.82 GPR84 (0.58) MEN1KMT2AGPR84PPARGPPARD
SCHEMBL19115528 0.81 CA2 (0.59) MAPK1GPR84PPARDFFAR1

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
US-20080194827-A1 Crystalline forms of Donepezil base CHEMAGIS LTD. (IL) 2008-08-14 US disclosed
EP-1935884-A2 New crystalline forms of donepezil base CHEMAGIS LTD. (IL) 2008-06-25 EP disclosed
EP-1669349-A1 New crystalline forms of donepezil base CHEMAGIS LTD. (IL) 2006-06-14 EP disclosed
US-20060122226-A1 Crystalline forms of Donepezil base CHEMAGIS LTD. (IL) 2006-06-08 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-20080194827-A1 Crystalline forms of Donepezil base NOTUM, BCHE, ACHE CES2 1065/4885CES1 1448/4885LMNA 3630/4885
US-20060122226-A1 Crystalline forms of Donepezil base NOTUM, BCHE, ACHE CES2 1065/4885CES1 1448/4885LMNA 3630/4885

“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.