SCHEMBL2803446

SCHEMBL2803446

C[Si](C)(C#CC(O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1C Q13936 1/20 0.42
ATM Q13315 2/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP19A1 P11511 3/20 0.32
NPC1 O15118 1/20 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
SCHEMBL2801878 0.84 CACNA2D1 (0.41) CACNA2D1CACNB2CACNA1CATMKMT2A
SCHEMBL2800138 0.80 ALOX5 (0.40) CACNA2D1CACNB2CACNA1CATMKMT2A
SCHEMBL2802726 0.75 CACNA2D1 (0.40) CACNA2D1CACNB2CACNA1CATMKMT2A
SCHEMBL2799259 0.72 CACNA2D1 (0.56) CACNA2D1CACNB2CACNA1CKMT2ATSHR
SCHEMBL29288285 0.71 TSHR (0.44) CACNA2D1CACNB2CACNA1CKMT2AALOX5
SCHEMBL17552567 0.71 GRM5 (0.37) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3947297 0.69 ESR1 (0.42) KMT2ATSHRALDH1A1LMNAHPGD
SCHEMBL28186919 0.67 ALOX5 (0.38) ALOX5ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20865650 0.66 ACHE (0.45) KMT2AALOX5ALDH1A1LMNASMN1; SMN2
SCHEMBL11363920 0.66 CACNA2D1 (0.49) CACNA2D1CACNB2CACNA1CTSHRALDH1A1

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 CACNA2D1 2691/4885CACNB2 3433/4885CACNA1C 3359/4885

“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.