SCHEMBL2803495

SCHEMBL2803495

COc1cccc(C(O)C#C[Si](C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
BRD4 O60885 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASR P41180 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2802710 0.80 AOC3 (0.46) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2801028 0.78 CES2 (0.41) AOC3BRD4ACHE
SCHEMBL1055834 0.77 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL27721078 0.77 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7442599 0.77 L3MBTL1 (0.54) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2155273 0.77 AOC3 (0.51) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2799259 0.76 CACNA2D1 (0.56) CHRM2PKMTSHRMAPK1MEN1
SCHEMBL9598079 0.76 ALOX5 (0.56) TSHRMAPK1MEN1KMT2A
SCHEMBL18896729 0.74 AOC3 (0.60) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2093768 0.74 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3

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-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 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-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A AOC3 62/4885L3MBTL1 3151/4885CHRM2 1248/4885

“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.