SCHEMBL8515935

SCHEMBL8515935

COc1ccc2c(c1)C(=O)C(=CO)C(C)(CCCO[Si](C)(C)C(C)(C)C)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
KLK7 P49862 1/20 0.34
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
STK17B O94768 2/20 0.33
GSK3B P49841 2/20 0.33
BLK P51451 2/20 0.33
BTK Q06187 2/20 0.33
STK17A Q9UEE5 2/20 0.33
DAPK2 Q9UIK4 2/20 0.33
CDK5 Q00535 1/20 0.33
TEK Q02763 1/20 0.33
ITK Q08881 1/20 0.33
PPIB P23284 1/20 0.33
IDO1 P14902 2/20 0.33
MALT1 Q9UDY8 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8515932 1.00 KDM4E (0.34) KDM4EKLK7AURKADAPK3STK17B
SCHEMBL8515929 1.00 KDM4E (0.34) KDM4EKLK7AURKADAPK3STK17B
SCHEMBL10237758 0.88 KDM4E (0.33) KDM4ESTK17BDUT
SCHEMBL874288 0.83 PPIB (0.33) KDM4EKLK7AURKADAPK3STK17B
SCHEMBL875050 0.76 AKT1 (0.46) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL874036 0.75 PPIB (0.35) KDM4EKLK7PPIBMALT1ALDH1A1
SCHEMBL10237755 0.71 ATM (0.33) KDM4EDUT
SCHEMBL874944 0.70 DUT (0.32) DUT
SCHEMBL874636 0.66 KDM4E (0.38) KDM4EKLK7AURKADAPK3STK17B
SCHEMBL18215235 0.65 PTGS2 (0.46) KDM4EIDO1MALT1ALDH1A1GAA

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 KDM4E 3940/4885KLK7 4564/4885AURKA 3607/4885

“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.