SCHEMBL748580

SCHEMBL748580

COc1cc(OC)c2c(=O)c(O)c(-c3ccc(C)cc3)oc2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.86
KDM4E B2RXH2 5/20 0.78
CYP3A4 P08684 5/20 0.78
MAPT P10636 4/20 0.78
CASP1 P29466 3/20 0.78
CASP7 P55210 3/20 0.78
LMNA P02545 2/20 0.78
TP53 P04637 2/20 0.78
MAOA P21397 2/20 0.67
XDH P47989 2/20 0.65
DPP4 P27487 1/20 0.65
ADORA3 P0DMS8 3/20 0.64
SLC22A2 O15244 1/20 0.64
SLC22A1 O15245 1/20 0.64
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
HSD17B10 Q99714 2/20 0.61
IPMK Q8NFU5 2/20 0.61
IP6K2 Q9UHH9 2/20 0.61

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
SCHEMBL2629300 0.92 ABCG2 (1.00) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL2629309 0.89 ABCG2 (0.84) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL38650680 0.89 ABCG2 (0.83) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL28536757 0.89 ABCG2 (0.83) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL3135319 0.88 KDM4E (1.00) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL31412250 0.88 KDM4E (1.00) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL4147950 0.87 ABCG2 (0.81) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL26936149 0.86 KDM4E (0.82) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL30037114 0.84 ADORA3 (0.79) ABCG2KDM4ECYP3A4MAPTCASP1
SCHEMBL16894653 0.84 ADORA3 (0.79) ABCG2KDM4ECYP3A4MAPTCASP1

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-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-7816544-B2 Synthesis of rocaglamide natural products via photochemical generation of oxidopyrylium species TRUSTEES OF BOSTON UNIVERSITY (US) 2010-10-19 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-20080177093-A1 Synthesis of Rocaglamide Natural Products Via Photochemical Generation of Oxidopyrylium Species TRUSTEES OF BOSTON UNIVERSITY 2008-07-24 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 (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 ABCG2 897/4885KDM4E 4342/4885CYP3A4 423/4885
US-20080177093-A1 Synthesis of Rocaglamide Natural Products Via Photochemical Generation of Oxidopyrylium Species NFKBIA, NFE2L2, NFKB1 ABCG2 1928/4885KDM4E 2938/4885CYP3A4 105/4885

“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.