SCHEMBL817028

SCHEMBL817028

CC1=C(O[Si](C)(C)C)c2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 5/20 0.34
METAP2 P50579 1/20 0.34
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
TDO2 P48775 1/20 0.34
CDK8 P49336 1/20 0.34
CDK5 Q00535 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL817343 0.83 CES1 (0.41) MAOAMAOBCES1ALDH1A1KDM4E
SCHEMBL7034653 0.80 MAOA (0.32) MAOAMAOBBCHECES1
SCHEMBL4034579 0.79 HTR2A (0.32) MAOA
SCHEMBL28445132 0.77 HRH1 (0.35) MAOAMAOBGABRPGABRDGABRA1
SCHEMBL30477992 0.75 MAOA (0.37) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL28456875 0.75 MAOA (0.37) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL13797871 0.72
SCHEMBL11661884 0.70 ALDH1A1 (0.44) MAOABCHECES1ALDH1A1KDM4E
SCHEMBL5027873 0.70 MAOA (0.46) MAOABCHECES1ALDH1A1METAP2
SCHEMBL29795069 0.70 MAOA (0.46) MAOABCHECES1ALDH1A1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906651-B2 Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-15 US disclosed
US-7541307-B2 Method for manufacturing an optically active hydroxymethylated compound and a catalyst therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-02 US disclosed
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
US-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-06-12 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 (2 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-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore OGFOD1, POF1B, EEF1D MAOA 1216/4885MAOB 510/4885BCHE 414/4885
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds TET1, TET3, CYP3A4 MAOA 278/4885MAOB 220/4885BCHE 1635/4885

“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.