SCHEMBL26430593

SCHEMBL26430593

CC[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
GLS O94925 2/20 0.34
TSHR P16473 1/20 0.34
PDE8B O95263 1/20 0.34
FAAH O00519 1/20 0.33
NR1H2 P55055 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL21987288 0.91 NR1H2 (0.39) ALDH1A1ATMMEN1KMT2AL3MBTL1
SCHEMBL21987291 0.91 NR1H2 (0.39) ALDH1A1ATMMEN1KMT2AL3MBTL1
SCHEMBL22052542 0.91 NR1H2 (0.39) ALDH1A1ATMMEN1KMT2AL3MBTL1
SCHEMBL17042419 0.85 GPR119 (0.39) ALDH1A1MEN1KMT2AL3MBTL1GLS
SCHEMBL21987229 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1GLS
SCHEMBL21987227 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1GLS
SCHEMBL22052541 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1GLS
SCHEMBL31603219 0.83 ALDH1A1 (0.41) ALDH1A1ATMMEN1KMT2AL3MBTL1
SCHEMBL26430591 0.81 NR1H2 (0.48) ALDH1A1ATMPARP1NR1H2
SCHEMBL21987437 0.81 KDM4E (0.38) ALDH1A1ATMMEN1KMT2AL3MBTL1

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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885ATM 3899/4885MEN1 3150/4885

“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.