SCHEMBL13052136

SCHEMBL13052136

CCCCCC1OC1CC1OC(C)(CCC(C)=O)OC1CCCCCCCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.36
PRKCE Q02156 2/20 0.36
POLB P06746 1/20 0.33
FASN P49327 1/20 0.33
PTPN1 P18031 3/20 0.32
ACP1 P24666 3/20 0.32
CDC25B P30305 3/20 0.32
CTSK P43235 1/20 0.30
CES2 O00748 3/20 0.30
CES1 P23141 3/20 0.30

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
SCHEMBL13052135 1.00 PRKCA (0.36) PRKCAPRKCEPOLBFASNPTPN1
SCHEMBL13052133 0.95 POLB (0.35) POLBFASNPTPN1ACP1CDC25B
SCHEMBL13052132 0.91 POLB (0.38) POLBFASNPTPN1ACP1CDC25B
SCHEMBL835135 0.85 CES2 (0.41) PRKCAPRKCEPTPN1CES2CES1
SCHEMBL863512 0.81 CES2 (0.45) PTPN1CES2CES1
SCHEMBL19628786 0.81 CES2 (0.45) PTPN1CES2CES1
SCHEMBL13409098 0.76 PAOX (0.38) PRKCAPRKCE
SCHEMBL16966580 0.73 GPR84 (0.59) PTPN1
SCHEMBL1333129 0.73 GPR84 (0.59) PTPN1
SCHEMBL16966579 0.73 GPR84 (0.59) PTPN1

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-8436042-B2 Adducts of levulinic derivatives with epoxidized fatty acid esters and uses thereof SEGETIS, INC. (US) 2013-05-07 US disclosed
US-20100292373-A1 ADDUCTS OF LEVULINIC DERIVATIVES WITH EPOXIDIZED FATTY ACID ESTERS AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2010-11-18 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-20100292373-A1 ADDUCTS OF LEVULINIC DERIVATIVES WITH EPOXIDIZED FATTY ACID ESTERS AND USES THEREOF ALOX5, ELOVL5, ELOVL1 PRKCA 364/4885PRKCE 326/4885POLB 1747/4885

“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.