SCHEMBL20799266

SCHEMBL20799266

CCCCCO[C@H]1C(=O)OC(=O)[C@@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.41
PRKD3 O94806 3/20 0.41
PRKCG P05129 3/20 0.41
PRKCB P05771 3/20 0.41
PRKCH P24723 3/20 0.41
PRKCE Q02156 3/20 0.41
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 3/20 0.41
PRKD1 Q15139 3/20 0.41
CYP1A1 P04798 1/20 0.39
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
GSTA2 P09210 2/20 0.36
GSTP1 P09211 2/20 0.36
GSTM1 P09488 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
GBA1 P04062 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7893349 0.79 POLB (0.42) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL1333553 0.79 POLB (0.42) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL52102 0.79 POLB (0.42) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL18219141 0.69 POLB (0.37) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL12546111 0.69 POLB (0.37) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL15457672 0.69 POLB (0.37) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL9496285 0.66 ALDH1A1 (0.38) PRKCAALDH1A1
SCHEMBL10777104 0.63 POLB (0.40) PRKCAPRKD3PRKCGPRKCBPRKCH
Hexane SCHEMBL3428301 0.62 ALDH1A1 (0.62) ALDH1A1CES2
Hexane SCHEMBL849892 0.62 ALDH1A1 (0.62) ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 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-10226456-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 PRKCA 3337/4885PRKD3 4454/4885PRKCG 2900/4885

“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.