Decane

Decane

SCHEMBL6353937

CC(C)O.CCCCCCCCCC.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.54
CES2 O00748 6/20 0.54
CES1 P23141 5/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
EPHX1 P07099 1/20 0.48
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 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
Heptane SCHEMBL3918420 1.00 FAAH (0.54) FAAHCES2CES1MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL3673750 0.98 FAAH (0.52) FAAHCES2CES1MEN1CYP1A2
Heptane SCHEMBL7647372 0.96 FAAH (0.50) FAAHCES2CES1MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL28128351 0.95 FAAH (0.50) FAAHCES2CES1MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL28015086 0.93 FAAH (0.48) FAAHCES2CES1MEN1CYP1A2
Octane SCHEMBL1696265 0.91 FAAH (0.62) FAAHCES2CES1MEN1CYP1A2
Hexadecane SCHEMBL4765353 0.91 FAAH (0.62) FAAHCES2CES1MEN1CYP1A2
Undecane SCHEMBL3628539 0.91 FAAH (0.62) FAAHCES2CES1MEN1CYP1A2
Heptane SCHEMBL3935940 0.91 FAAH (0.62) FAAHCES2CES1MEN1CYP1A2
Nonane SCHEMBL4255344 0.91 FAAH (0.62) FAAHCES2CES1MEN1CYP1A2

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-6916841-B2 Inhibitors of phospholipase enzymes GENETICS INSTITUTE, LLC (US) 2005-07-12 US disclosed
US-20030153751-A1 Inhibitors of phospholipase enzymes AMERICAN HOME PRODUCTS CORPORATION 2003-08-14 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-20030153751-A1 Inhibitors of phospholipase enzymes PLA2G4C, PLA2G4B, PLA2G4A FAAH 218/4885CES2 298/4885CES1 116/4885

“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.