SCHEMBL23720439

SCHEMBL23720439

CCOC(=O)CN(CC(=O)OCC)Cc1ccc(O)c(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
EGFR P00533 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEP1B Q16820 1/20 0.38
PRKCI P41743 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ACHE P22303 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL25118388 0.81 CYP4F2 (0.55) BACE1EGFRCYP4F2CYP4A11
SCHEMBL22273410 0.80 BACE1 (0.33) BACE1POLBCA1CA2
SCHEMBL22273411 0.78 POLB (0.34) BACE1POLB
SCHEMBL25118440 0.73 ALDH1A1 (0.50) BACE1POLBALDH1A1KDM4EMAPT
SCHEMBL3184733 0.71 ALDH1A1 (0.54) POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL1638251 0.71 DRD2 (0.40) MAPTCA1CA2CA12ACHE
SCHEMBL9000814 0.71 HPGD (0.47) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL22273409 0.71 ALDH1A1 (0.67) BACE1ALDH1A1EGFRKDM4EMAPT
SCHEMBL6175982 0.70 BCHE (0.50) POLBALDH1A1MEP1BCA1CA2
SCHEMBL17092540 0.70 BACE1 (0.61) BACE1POLBALDH1A1KDM4EMAPT

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-20230098649-A1 MITOCHONDRIA-TARGETED ISOKETAL/ISOLEVUGLANDIN SCAVENGERS AND USES THEREOF VANDERBILT UNIVERSITY 2023-03-30 US disclosed
WO-2021154877-A1 MITOCHONDRIA-TARGETED ISOKETAL/ISOLEVUGLANDIN SCAVENGERS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2021-08-05 WO 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-20230098649-A1 MITOCHONDRIA-TARGETED ISOKETAL/ISOLEVUGLANDIN SCAVENGERS AND USES THEREOF NLN, SHMT2, HOGA1 BACE1 4148/4885POLB 1742/4885ALDH1A1 2337/4885

“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.