SCHEMBL731574

SCHEMBL731574

COC(=O)C1OC(c2ccccc2)(c2ccccc2)OC1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
ITGA4 P13612 1/20 0.66
HTT P42858 1/20 0.50
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 4/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL731575 0.95 MAPT (0.60) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL10794880 0.84 ALDH1A1 (0.55) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL2748786 0.84 ALDH1A1 (0.55) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL18840327 0.83 ALDH1A1 (0.54) ALDH1A1MAPTITGA4POLBMAPK1
SCHEMBL10566794 0.80 ALDH1A1 (0.51) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL9795583 0.78 ALDH1A1 (0.49) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL570250 0.75 HTT (0.50) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL8115242 0.74 HTT (0.53) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL9795626 0.74 ALDH1A1 (0.45) ALDH1A1MAPTITGA4HTTPOLB
SCHEMBL30274516 0.72 HTT (0.54) ALDH1A1MAPTITGA4HTTPOLB

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 5 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-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.