SCHEMBL5017334

SCHEMBL5017334

CC(=O)OCC(COCCCCCCCCCCO)OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.47
ADRA1D P25100 1/20 0.45
PTAFR P25105 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
USP2 O75604 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL10824976 0.89 ADRA1D (0.55) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL8435468 0.89 ADRA1D (0.55) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL8438758 0.89 ADRA1D (0.55) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL10894210 0.89 ADRA1D (0.55) PRKCAADRA1DPTAFRHTR1DHTR2C
Cetyl Alcohol SCHEMBL8600510 0.87 PRKCA (0.60) PRKCAALDH1A1LMNA
Cetostearyl Alcohol SCHEMBL27687492 0.87 PRKCA (0.60) PRKCAALDH1A1LMNA
SCHEMBL5025539 0.86 ADRA1D (0.44) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL14036738 0.86 ADRA1D (0.44) PRKCAADRA1DPTAFRHTR1DHTR2C
Triacetin SCHEMBL17821531 0.85 PRKCA (0.55) PRKCAADRA1DPTAFRHTR1DHTR2C
SCHEMBL13449715 0.85 ALDH1A1 (0.53) PRKCAADRA1DPTAFRHTR1DHTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed
EP-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed
US-20040266747-A1 Long chain fatty alcohol substituents in antineoplastic agents PFAENDLER HANS R (DE) 2004-12-30 US disclosed
EP-1465876-A1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS Pfaendler, Hans Rudolf (DE) 2004-10-13 EP disclosed
WO-2003055864-A1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2003-07-10 WO 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-20040266747-A1 Long chain fatty alcohol substituents in antineoplastic agents FASN, ELOVL3, ELOVL1 PRKCA 2414/4885ADRA1D 1150/4885PTAFR 2242/4885

“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.