SCHEMBL4598724

SCHEMBL4598724

CCO[PH](=O)OCC.C[Si](C)(C)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
IDO1 P14902 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
LIPE Q05469 2/20 0.33
TP53 P04637 1/20 0.33
AGXT P21549 1/20 0.33
AOC3 Q16853 1/20 0.33
BCHE P06276 1/20 0.33
LIPC P11150 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL6054451 0.84 TSHR (0.43) ALDH1A1TSHRL3MBTL1IDO1CA1
SCHEMBL11235104 0.84 IDO1 (0.38) ALDH1A1IDO1AGXTACHELMNA
SCHEMBL2844263 0.82 TSHR (0.52) ALDH1A1TSHRL3MBTL1IDO1CA1
Butane SCHEMBL9066594 0.74 TSHR (0.44) ALDH1A1TSHRL3MBTL1IDO1CA1
Phenol SCHEMBL27580064 0.74 CA12 (0.46) ALDH1A1TSHRL3MBTL1IDO1CA1
Phenol SCHEMBL11346379 0.74 CA12 (0.46) ALDH1A1TSHRL3MBTL1IDO1CA1
SCHEMBL28603519 0.74 TSHR (0.44) ALDH1A1TSHRL3MBTL1IDO1CA1
SCHEMBL36370 0.73 TSHR (0.52) ALDH1A1TSHRL3MBTL1IDO1CA1
SCHEMBL29806030 0.73 TSHR (0.52) ALDH1A1TSHRL3MBTL1IDO1CA1
Benzene SCHEMBL649962 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP ALDH1A1 2594/4885TSHR 4819/4885L3MBTL1 4211/4885

“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.