SCHEMBL751058

SCHEMBL751058

COC(=O)[C@@H]1OC2(CCC3(CC2)O[C@@H](C(=O)OC)[C@H](C(=O)OC)O3)O[C@H]1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ITGA4 P13612 1/20 0.44
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
BRD4 O60885 1/20 0.33
BACE1 P56817 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL731545 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL12455857 0.92 ALDH1A1 (0.40) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL8148780 0.91 MAPT (0.42) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL751051 0.90 ALDH1A1 (0.41) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL9458211 0.83 ALDH1A1 (0.37) ALDH1A1MAPTITGA4PPM1BPTPN1
SCHEMBL12455851 0.83 MAPT (0.37) ALDH1A1MAPTITGA4POLB
SCHEMBL9979878 0.76 ALDH1A1 (0.47) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL2749036 0.76 ALDH1A1 (0.47) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL675867 0.76 ALDH1A1 (0.47) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL10266772 0.76 ALDH1A1 (0.47) ALDH1A1MAPTITGA4CHRNB2CHRNA4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404088-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral bronsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2013-03-26 US disclosed
US-20120238766-A1 ASYMMETRIC SYNTHESIS OF ROCAGLAMIDES VIA ENANTIOSELECTIVE PHOTOCYCLOADDITION MEDIATED BY CHIRAL BRONSTED ACIDS TRUSTEES OF BOSTON UNIVERSITY (US) 2012-09-20 US disclosed
US-8137509-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral brønsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2012-03-20 US disclosed
US-8137509-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral brønsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2012-03-20 US disclosed
US-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids TRUSTEES OF BOSTON UNIVERSITY (US) 2009-12-03 US disclosed
US-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids TRUSTEES OF BOSTON UNIVERSITY (US) 2009-12-03 US disclosed
WO-2007139749-A2 ASYMMETRIC SYNTHESIS OF ROCAGLAMIDES VIA ENANTIOSELECTIVE PHOTOCYCLOADDITION MEDIATED BY CHIRAL BRONSTED ACIDS TRUSTEES OF BOSTON UNIVERSITY (US) 2007-12-06 WO 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 (2 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-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids NFKBIA, NFKB1, NFE2L2 ALDH1A1 431/4885MAPT 4445/4885ITGA4 3458/4885
US-20120238766-A1 ASYMMETRIC SYNTHESIS OF ROCAGLAMIDES VIA ENANTIOSELECTIVE PHOTOCYCLOADDITION MEDIATED BY CHIRAL BRONSTED ACIDS NFKBIA, NFKB1, NFE2L2 ALDH1A1 431/4885MAPT 4445/4885ITGA4 3458/4885

“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.