SCHEMBL1627344

SCHEMBL1627344

CCCCCCCCCCCCCCCCOC(=O)C(C)CCCCCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
ACE2 Q9BYF1 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.47
MAPT P10636 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7217665 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7224539 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223700 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7224048 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL20856911 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7218790 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL15294513 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223667 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223773 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223100 1.00 CA1 (0.53) CA1NAAAEPHX1TSHRACE2

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-2174645-B1 Materials containing aromas incorporating cetyl nonanoate and/or stearyl nonanoate SYMRISE AG (DE) 2015-07-29 EP disclosed
US-9050261-B2 Compositions comprising fragrance substances and comprising cetyl nonanoate and/or stearyl nonanoate SYMRISE AG (DE) 2015-06-09 US disclosed
US-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE SYMRISE AG (DE) 2011-04-21 US disclosed
EP-2174645-A2 Materials containing aromas incorporating cetyl nonanoate and/or stearyl nonanoate Symrise GmbH & Co. KG (DE) 2010-04-14 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-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE CUTA, FHIT, FAM83A CA1 1075/4885NAAA 425/4885EPHX1 2968/4885

“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.