SCHEMBL2800708

SCHEMBL2800708

OC(C#CC1CCCCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.42
CYP1A2 P05177 2/20 0.40
GRM5 P41594 1/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1C Q13936 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 2/20 0.39
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
EPHX1 P07099 2/20 0.36

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
SCHEMBL2803370 0.91 TSHR (0.47) ALDH1A1HTTMAPK1TSHRCYP1A2
SCHEMBL9547891 0.73 TSHR (0.64) ALDH1A1HTTMAPK1TSHRCACNA2D1
SCHEMBL9856659 0.69 CACNA2D1 (0.66) ALDH1A1HTTMAPK1TSHRCACNA2D1
SCHEMBL26080893 0.69 KCNH2 (0.31) CYP1A2GRM5KDM4EKCNH2LMNA
SCHEMBL14808085 0.68 CHRNB4 (0.49) ALDH1A1HTTMAPK1TSHRLMNA
SCHEMBL28059586 0.68 EPHX1 (0.41) CYP1A2GRM5CYP2D6EPHX1
SCHEMBL9619367 0.68 TSHR (0.56) ALDH1A1HTTMAPK1TSHRCACNA2D1
SCHEMBL8752132 0.67 CYP1A2 (0.55) CYP1A2GRM5KCNH2
SCHEMBL477416 0.67 IDO1 (0.53) TSHRCYP1A2KDM4EIDO1MEN1
SCHEMBL1430742 0.67 IDO1 (0.53) TSHRCYP1A2KDM4EIDO1MEN1

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 4 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-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
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 ALDH1A1 69/4885HTT 4192/4885MAPK1 4348/4885

“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.