SCHEMBL2800477

SCHEMBL2800477

OC(C#Cc1ccccc1)c1ccoc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
APP P05067 1/20 0.37
CACNA2D1 P54289 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALOX5 P09917 2/20 0.35
GRM5 P41594 4/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 1/20 0.33
AGTR1 P30556 1/20 0.33
PAX8 Q06710 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
PKM P14618 2/20 0.32

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
SCHEMBL2801832 0.79 TSHR (0.52) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL2519799 0.79 TSHR (0.52) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL17845069 0.79 APP (0.48) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL8681264 0.73 CYP1A1 (0.44) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL2683928 0.71 CACNA2D1 (0.40) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL9669350 0.71 HTR2A (0.40) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL2802726 0.71 CACNA2D1 (0.40) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL2686081 0.71 VCP (0.46) IDO1APPCACNA2D1CACNB2CACNA1C
SCHEMBL28599273 0.71 AGTR1 (0.45) IDO1APPGRM5LMNAKMT2A
SCHEMBL8625450 0.70 SRD5A2 (0.47) CACNA2D1CACNB2CACNA1CGRM5TSHR

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 IDO1 649/4885APP 4389/4885CACNA2D1 2691/4885

“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.