SCHEMBL5369809

SCHEMBL5369809

COc1cc(N(C)C)ccc1[C@H](C)CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.31
CALM1 P0DP23 2/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SLC2A1 P11166 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
SCHEMBL14575995 0.85 MEN1 (0.34) MEN1KMT2ADHFRALDH1A1CALM1
SCHEMBL14576683 0.84 MEN1 (0.43) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL5360139 0.84 MEN1 (0.43) MEN1KMT2AMAPK1TDP1MAPT
SCHEMBL5369805 0.83 KMT2A (0.36) MEN1KMT2ADHFRALDH1A1CALM1
SCHEMBL5369816 0.83 KMT2A (0.36) MEN1KMT2ADHFRALDH1A1CALM1
SCHEMBL14611691 0.76 ADRB2 (0.38) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL5360309 0.75 KMT2A (0.37) MEN1KMT2ADHFRCALM1LMNA
SCHEMBL14314494 0.74 KMT2A (0.43) MEN1KMT2ADHFRALDH1A1CALM1
SCHEMBL8315441 0.73 CA1 (0.40) KMT2AALDH1A1LMNAMAPT
SCHEMBL5360145 0.71 MEN1 (0.41) MEN1KMT2AMAPK1TDP1MAPT

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-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-12-25 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-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts NAT1, AOX1, ALDH7A1 MEN1 4362/4885KMT2A 1979/4885DHFR 668/4885

“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.