SCHEMBL3343972

SCHEMBL3343972

COc1cc(-c2oc3cc(I)ccc3c(=O)c2OCc2ccccc2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
ABCG2 Q9UNQ0 10/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.41
CYP19A1 P11511 1/20 0.41
ABCB1 P08183 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4038498 0.97 PPARG (0.54) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL13648830 0.94 PPARG (0.53) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL3339178 0.91 ABCB1 (0.53) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL12685815 0.83 ABCG2 (0.49) ABCG2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL4036073 0.83 MAPT (0.57) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4039498 0.82 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL3340894 0.82 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4035989 0.82 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL15307575 0.82 PPARG (0.52) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4042000 0.81 PPARG (0.51) PPARGABCG2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359323-B2 Compound MCPHAIL DONALD BARTON (GB) 2016-06-07 US disclosed
US-9359323-B2 Compound MCPHAIL DONALD BARTON (GB) 2016-06-07 US disclosed
US-20130267586-A1 Compound ANTOXIS LIMITED (GB) 2013-10-10 US disclosed
US-20130267586-A1 Compound ANTOXIS LIMITED (GB) 2013-10-10 US disclosed
EP-2627646-A1 COMPOUND Antoxis Limited (GB) 2013-08-21 EP disclosed
WO-2012049460-A1 COMPOUND ANTOXIS LIMITED (GB) 2012-04-19 WO disclosed
US-20100151508-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY 2010-06-17 US disclosed
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-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

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-20100151508-A1 COMPOUNDS NFE2L2, RBBP4, GPX4 PPARG 2562/4885ABCG2 266/4885KDM4E 1425/4885
US-20130267586-A1 Compound TYR, NQO1, GLA PPARG 1450/4885ABCG2 3994/4885KDM4E 3250/4885

“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.