SCHEMBL5356941

SCHEMBL5356941

COc1ccccc1C(CCO[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.42
KMT2A Q03164 10/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CYP19A1 P11511 1/20 0.37
SLC6A2 P23975 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL14576381 1.00 MEN1 (0.42) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL5360139 0.84 MEN1 (0.43) MEN1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL14576683 0.84 MEN1 (0.43) MEN1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL6504640 0.76 SCN4A (0.40)
SCHEMBL6504637 0.76 SCN4A (0.40)
SCHEMBL12487435 0.76 SCN4A (0.40)
SCHEMBL6221097 0.76 RIPK1 (0.51)
SCHEMBL9227320 0.75 MEN1 (0.54) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL1520904 0.75 RIPK1 (0.53) L3MBTL1
SCHEMBL13527885 0.75 SIGMAR1 (0.44) CYP19A1

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 MEN1 4362/4885KMT2A 1979/4885IDO1 76/4885

“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.