SCHEMBL751051

SCHEMBL751051

COC(=O)[C@@H]1OC2(CCCCCCC2)O[C@H]1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
ITGA4 P13612 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 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
SCHEMBL8148780 0.98 MAPT (0.42) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL12455851 0.93 MAPT (0.37) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL9458211 0.93 ALDH1A1 (0.37) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL731545 0.90 ALDH1A1 (0.44) ALDH1A1MAPTITGA4SMN1; SMN2CHRNB2
SCHEMBL751058 0.90 ALDH1A1 (0.44) ALDH1A1MAPTITGA4SMN1; SMN2CHRNB2
SCHEMBL12455857 0.82 ALDH1A1 (0.40) ALDH1A1MAPTITGA4CHRNB2CHRNA4
SCHEMBL16795845 0.80 ALDH1A1 (0.43) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL16808513 0.80 ALDH1A1 (0.43) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL27085627 0.80 ALDH1A1 (0.43) ALDH1A1MAPTITGA4NPSR1MAPK1
SCHEMBL17093406 0.80 ALDH1A1 (0.43) ALDH1A1MAPTITGA4NPSR1MAPK1

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.