SCHEMBL2298905

SCHEMBL2298905

CC(C)(C)[Si](OC1CCC(C2CCN(Cc3c(Cl)cc(O)cc3Cl)C2=O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
S1PR5 Q9H228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACLY P53396 1/20 0.31
SMYD2 Q9NRG4 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
CHRM3 P20309 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
SCHEMBL2298856 0.91 S1PR5 (0.36) BACE1S1PR5
SCHEMBL2300871 0.88 ESR1 (0.34) BACE1
SCHEMBL2298919 0.87 LIPE (0.32) BACE1ACLY
SCHEMBL2301573 0.85 CHRM4 (0.37) BACE1KDM4EALDH1A1ACLY
SCHEMBL2299336 0.81 NAMPT (0.33) ALDH1A1
SCHEMBL1750366 0.81 BACE1 (0.40) BACE1S1PR5
SCHEMBL2300540 0.78 TNKS (0.36)
SCHEMBL12386298 0.74 TNKS (0.38) BACE1
SCHEMBL2299174 0.74 PER2 (0.40)
SCHEMBL1750955 0.73 BACE1 (0.38) BACE1S1PR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994176-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-2021337-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-01-13 EP disclosed
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
EP-2021337-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 BACE1 171/4885S1PR5 1003/4885KDM4E 1310/4885

“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.