SCHEMBL21751436

SCHEMBL21751436

CC(=O)OC1[C@H](OC(C)=O)CC(OC(C)=O)(C(=O)O)C[C@H]1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
APP P05067 1/20 0.33
CHRM2 P08172 4/20 0.33
CHRM1 P11229 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 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
SCHEMBL15870316 1.00 PRKD3 (0.44) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL789290 1.00 PRKD3 (0.44) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14968394 0.87 CHRM2 (0.33) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL9958086 0.84 CHRM2 (0.33) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL19696795 0.78 CHRM2 (0.34) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL21771475 0.77 CHRM2 (0.33) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7762152 0.72 PTPN1 (0.36) APP
SCHEMBL4965939 0.71 TSHR (0.34) KMT2A
SCHEMBL789291 0.71 METAP2 (0.30) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL2479329 0.69 FFAR3 (0.38)

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-11154514-B2 Quinic acid-modified nanoparticles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-10-26 US disclosed
US-20200060989-A1 QUINIC ACID-MODIFIED NANOPARTICLES AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-02-27 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 (2 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-11154514-B2 Quinic acid-modified nanoparticles and uses thereof SELP, SELE, SELPLG PRKD3 3998/4885PRKCG 2839/4885PRKCB 3092/4885
US-20200060989-A1 QUINIC ACID-MODIFIED NANOPARTICLES AND USES THEREOF SELP, SELE, SELPLG PRKD3 3998/4885PRKCG 2839/4885PRKCB 3092/4885

“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.