SCHEMBL2800138

SCHEMBL2800138

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
CACNA2D1 P54289 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1C Q13936 1/20 0.38
AOC3 Q16853 1/20 0.37
ATM Q13315 2/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALPG P10696 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 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
SCHEMBL2799259 0.80 CACNA2D1 (0.56) CACNA2D1CACNB2CACNA1CKMT2AKDM4E
SCHEMBL2803446 0.80 CACNA2D1 (0.42) ALOX5CACNA2D1CACNB2CACNA1CATM
SCHEMBL2801028 0.79 CES2 (0.41) CACNA2D1CACNB2CACNA1CAOC3IDO1
SCHEMBL14677386 0.78 CACNA2D1 (0.39) CACNA2D1CACNB2CACNA1CKMT2AKDM4E
SCHEMBL9130467 0.78 ALDH1A1 (0.40) CACNA2D1CACNB2CACNA1CATMKMT2A
SCHEMBL2197891 0.78 ALOX5 (0.46) ALOX5CACNA2D1CACNB2CACNA1CKDM4E
SCHEMBL2801878 0.75 CACNA2D1 (0.41) ALOX5CACNA2D1CACNB2CACNA1CATM
SCHEMBL9133521 0.74 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1TDP1
SCHEMBL26988090 0.74 SLC6A2 (0.35) ALOX5CACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL20865650 0.73 ACHE (0.45) ALOX5AOC3KMT2AALDH1A1LMNA

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 ALOX5 162/4885CACNA2D1 2691/4885CACNB2 3433/4885

“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.