SCHEMBL26210982

SCHEMBL26210982

CC(=O)NCC(C)(C)CC(C)(C)CN1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.33
ALDH1A1 P00352 2/20 0.33
WRN Q14191 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31

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
SCHEMBL18406642 0.79 MGLL (0.36) BLMALDH1A1WRNGMNNLMNA
SCHEMBL16016273 0.76 PTGS1 (0.39) BLMALDH1A1WRNGMNNLMNA
SCHEMBL26214089 0.75 OPRM1 (0.33) BLMALDH1A1WRNGMNNLMNA
SCHEMBL23900539 0.74 MGLL (0.46) BLMALDH1A1WRNGMNNLMNA
SCHEMBL18406643 0.74 MGLL (0.35) BLMALDH1A1WRNGMNNLMNA
SCHEMBL20161211 0.74 MGLL (0.36) BLMALDH1A1WRNGMNNLMNA
SCHEMBL23900909 0.74 MGLL (0.44) BLMALDH1A1WRNGMNNLMNA
SCHEMBL22399174 0.73 MGLL (0.52) BLMALDH1A1WRNGMNNLMNA
SCHEMBL23900609 0.71 BLM (0.42) BLMALDH1A1WRNGMNNLMNA
SCHEMBL24053122 0.70 KDM4E (0.34) ALDH1A1NPSR1HIF1A

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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications SLC1A5, SLCO1B1, SLCO2B1 BLM 3906/4885ALDH1A1 3160/4885WRN 4275/4885

“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.