SCHEMBL3339178

SCHEMBL3339178

COc1cc(-c2oc3cc(I)ccc3c(=O)c2O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.53
MAPT P10636 9/20 0.52
CYP3A4 P08684 8/20 0.52
KDM4E B2RXH2 8/20 0.52
TP53 P04637 7/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 6/20 0.52
ALDH1A1 P00352 6/20 0.52
CASP1 P29466 4/20 0.52
CASP7 P55210 4/20 0.52
ALOX15 P16050 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 3/20 0.49
POLB P06746 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL4036073 0.92 MAPT (0.57) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL3343972 0.91 PPARG (0.55) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL4038498 0.88 PPARG (0.54) ABCB1MAPTCYP3A4KDM4EMEN1
SCHEMBL4035471 0.85 MAPT (0.65) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL13648830 0.85 PPARG (0.53) MAPTCYP3A4KDM4EMEN1KMT2A
SCHEMBL30667382 0.85 ABCG2 (0.58) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL13654306 0.84 ABCG2 (0.53) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL4035682 0.82 MAPT (0.49) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL6897378 0.80 ABCB1 (0.72) ABCB1MAPTCYP3A4KDM4ETP53
SCHEMBL25022832 0.79 ABCG2 (0.73) ABCB1MAPTCYP3A4KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100151508-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY 2010-06-17 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
EP-2087350-A1 COMPOUNDS The Robert Gordon University (GB) 2009-08-12 EP disclosed
WO-2008062184-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY (GB) 2008-05-29 WO disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
US-20060137207-A1 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2006-06-29 US disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 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 (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-20100151508-A1 COMPOUNDS NFE2L2, RBBP4, GPX4 ABCB1 736/4885MAPT 3919/4885CYP3A4 60/4885

“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.