SCHEMBL5369816

SCHEMBL5369816

CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.COc1cc(N(C)C)ccc1C(C)CCO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
DHFR P00374 1/20 0.33
CALM1 P0DP23 1/20 0.32
MAPK1 P28482 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
BACE1 P56817 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL5369805 1.00 KMT2A (0.36) KMT2AMEN1DHFRCALM1MAPK1
SCHEMBL5360145 0.84 MEN1 (0.41) KMT2AMEN1MAPK1TDP1RXFP1
SCHEMBL5369809 0.83 MEN1 (0.35) KMT2AMEN1DHFRCALM1MAPK1
SCHEMBL5360309 0.78 KMT2A (0.37) KMT2AMEN1DHFRCALM1BACE1
SCHEMBL14575995 0.76 MEN1 (0.34) KMT2AMEN1DHFRCALM1MAPK1
SCHEMBL14314494 0.72 KMT2A (0.43) KMT2AMEN1DHFRCALM1MAPK1
SCHEMBL5360139 0.70 MEN1 (0.43) KMT2AMEN1MAPK1TDP1RXFP1
SCHEMBL14576683 0.70 MEN1 (0.43) KMT2AMEN1MAPK1TDP1RXFP1
SCHEMBL5360295 0.70 MEN1 (0.49) KMT2AMEN1MAPK1TDP1RXFP1
SCHEMBL5364344 0.70 MEN1 (0.49) KMT2AMEN1MAPK1TDP1RXFP1

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-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 KMT2A 1979/4885MEN1 4362/4885DHFR 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.