SCHEMBL23463158

SCHEMBL23463158

CC(C)C(=O)OCC(C)(C)SS

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL22479770 0.81 ALDH1A1 (0.36) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL19564951 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12144940 0.78
SCHEMBL21468611 0.76 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL882160 0.75 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL7934757 0.75 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL10955234 0.73 ALDH1A1 (0.42) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL13346809 0.72 ALDH1A1 (0.41) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL24502636 0.71 ALDH1A1 (0.38) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL19564870 0.71 ALDH1A1 (0.38) ALDH1A1POLBMAPTHTTGRIN2D

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-20210163513-A1 Phospholipid-Flavagline Conjugates and Methods of Using the Same for Targeted Cancer Therapy CELLECTAR BIOSCIENCES, INC. (US) 2021-06-03 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-20210163513-A1 Phospholipid-Flavagline Conjugates and Methods of Using the Same for Targeted Cancer Therapy PHOSPHO1, PLEC, PEBP1 ALDH1A1 1686/4885POLB 4755/4885MAPT 3710/4885

“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.