SCHEMBL4450336

SCHEMBL4450336

COc1cc(OC)c(OC)cc1C=CC(=O)c1c(OC)cccc1OC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.69
▸ NFE2L2 Q16236 1/20 0.63
▸ TNFRSF1A P19438 1/20 0.60
▸ APP P05067 1/20 0.57
▸ SNCA P37840 2/20 0.55
▸ AURKA O14965 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ DPP4 P27487 1/20 0.50

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
SCHEMBL4450332 1.00 ABCG2 (0.69) ABCG2NFE2L2TNFRSF1AAPPSNCA
SCHEMBL19183469 0.91 AURKA (0.66) ABCG2NFE2L2APPSNCAAURKA
SCHEMBL19183470 0.91 AURKA (0.66) ABCG2NFE2L2APPSNCAAURKA
SCHEMBL15155231 0.84 ABCG2 (0.68) ABCG2NFE2L2TNFRSF1AAPPSNCA
SCHEMBL15155236 0.84 ABCG2 (0.68) ABCG2NFE2L2TNFRSF1AAPPSNCA
SCHEMBL19183189 0.81 NFE2L2 (0.74) ABCG2NFE2L2NPC1LMNABCHE
SCHEMBL19183192 0.81 NFE2L2 (0.74) ABCG2NFE2L2NPC1LMNABCHE
SCHEMBL7196216 0.80 TNFRSF1A (0.59) ABCG2NFE2L2TNFRSF1AAURKANPC1
SCHEMBL7196210 0.80 TNFRSF1A (0.59) ABCG2NFE2L2TNFRSF1AAURKANPC1
SCHEMBL979440 0.80 ABCG2 (0.75) ABCG2TNFRSF1AAURKANPC1LMNA

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-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 — — US claimed
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 — — EP disclosed
US-9290427-B2 Anti-invasive compounds UNIVERSITEIT GENT (BE) 2016-03-22 — — US disclosed
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS UNIVERSITEIT GENT (BE) 2015-01-08 — — US disclosed
US-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 — — US disclosed
EP-1976818-A2 CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2008-10-08 — — EP disclosed
WO-2007083060-A2 NOVEL CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2007-07-26 — — 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-20150011620-A1 ANTI-INVASIVE COMPOUNDS MMP3, MMP10, MIF ABCG2 216/4885NFE2L2 1215/4885TNFRSF1A 2395/4885
US-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity ABCE1, CCNE1, FOXM1 ABCG2 38/4885NFE2L2 234/4885TNFRSF1A 2869/4885

“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.

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