SCHEMBL22375459

SCHEMBL22375459

CC(C)(C)NC(=O)CCCC(C)(C)SS

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
DUT P33316 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC2 Q92769 2/20 0.34
POLB P06746 2/20 0.34
GLS O94925 1/20 0.30
GAA P10253 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MAPT P10636 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
SCHEMBL25062317 0.83 LMNA (0.42) ALDH1A1LMNARECQLPOLBMAPT
SCHEMBL16139204 0.78 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL9116620 0.77 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL21953733 0.76 MEN1 (0.31)
SCHEMBL23772645 0.75 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL23772642 0.75 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL16139220 0.72 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL19171550 0.72 SMN1; SMN2 (0.50) ALDH1A1HPGDSMN1; SMN2DUTLMNA
SCHEMBL19704159 0.71 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2DUTRECQL
SCHEMBL9462903 0.71 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2DUTMAPT

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-20200270218-A1 SENSORS FOR DETECTION OF NEGATIVELY CHARGED PHOSPHATE-CONTAINING MEMBRANES AND MEMBRANE COMPONENTS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-08-27 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-20200270218-A1 SENSORS FOR DETECTION OF NEGATIVELY CHARGED PHOSPHATE-CONTAINING MEMBRANES AND MEMBRANE COMPONENTS PHOSPHO1, PTEN, INPPL1 ALDH1A1 4871/4885HPGD 3832/4885SMN1; SMN2 4797/4885

“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.