SCHEMBL2397405

SCHEMBL2397405

CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCO)OC(=O)CCCCCCC

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.87
LMNA P02545 1/20 0.87
PRKCA P17252 4/20 0.79
PRKCE Q02156 2/20 0.79
PRKCQ Q04759 2/20 0.79
PRKCD Q05655 2/20 0.79
LPAR3 Q9UBY5 7/20 0.69
LPAR1 Q92633 4/20 0.69
ENPP2 Q13822 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
LPAR2 Q9HBW0 2/20 0.68
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65

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
SCHEMBL13866570 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL27330834 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13866569 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Cetyl Alcohol SCHEMBL28196903 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13866563 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19102029 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
1-Pentanol SCHEMBL28176665 1.00 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22681323 0.97 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tripalmitin SCHEMBL6409867 0.95 ALDH1A1 (0.90) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Ethylene Glycol SCHEMBL27636085 0.95 ALDH1A1 (0.90) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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-8026220-B2 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and method of using the same to inhibit neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-27 US disclosed
US-20090215706-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2009-08-27 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 (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-20090215706-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH UGT2B17, ALDH1A2, UGT2B7 ALDH1A1 55/4885LMNA 1714/4885PRKCA 3919/4885

“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.