SCHEMBL29314028

SCHEMBL29314028

CC(C)CCOC(=O)[C@H](N)Cc1cn(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
RECQL P46063 1/20 0.53
ARG1 P05089 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
SCN9A Q15858 1/20 0.42
CA2 P00918 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL29314027 0.88 ALDH1A1 (0.55) ALDH1A1MAPTRECQLARG1KDM4E
SCHEMBL23677906 0.85 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EHPGD
SCHEMBL30584520 0.85 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EHPGD
SCHEMBL18395823 0.85 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EHPGD
SCHEMBL18396286 0.85 MAPT (0.49) ALDH1A1MAPTRECQLARG1KDM4E
SCHEMBL21747179 0.85 MAPT (0.49) ALDH1A1MAPTRECQLARG1KDM4E
SCHEMBL18407259 0.85 MAPT (0.49) ALDH1A1MAPTRECQLARG1KDM4E
SCHEMBL30025033 0.85 MAPT (0.49) ALDH1A1MAPTRECQLARG1KDM4E
SCHEMBL29314703 0.85 ALDH1A1 (0.49) ALDH1A1MAPTRECQLARG1KDM4E
Hydrochloric Acid SCHEMBL22393215 0.84 ALDH1A1 (0.53) ALDH1A1MAPTRECQLKDM4EHPGD

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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-11 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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF PI4KA, PIK3CA, PI4KB ALDH1A1 3641/4885MAPT 1253/4885RECQL 2937/4885

“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.