SCHEMBL2743877

SCHEMBL2743877

COc1ccc(C=CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.79
▸ JUN P05412 1/20 0.79
▸ KDM4E B2RXH2 2/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ HPGD P15428 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ CYP1A2 P05177 3/20 0.75
▸ CYP2D6 P10635 3/20 0.75
▸ NFE2L2 Q16236 2/20 0.75
▸ ALOX5 P09917 1/20 0.75
▸ HSD11B1 P28845 1/20 0.75
▸ STAT3 P40763 1/20 0.75
▸ NFKB2 Q00653 1/20 0.75
▸ RELA Q04206 1/20 0.75
▸ CA2 P00918 2/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ ABCG2 Q9UNQ0 2/20 0.73

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
SCHEMBL2743876 1.00 NFKB1 (0.79) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL30493821 1.00 NFKB1 (0.79) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL2744668 0.92 NFKB1 (0.74) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL14982038 0.92 NFKB1 (0.68) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL2744234 0.92 CYP2D6 (0.91) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL2744131 0.92 NFKB1 (0.68) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL2744233 0.92 CYP2D6 (0.91) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL2744663 0.92 NFKB1 (0.74) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL13039663 0.92 KDM4E (0.82) NFKB1JUNKDM4EALDH1A1HPGD
SCHEMBL28356985 0.92 CYP2D6 (0.69) NFKB1JUNKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432401-B2 Method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties Fundação de Amparo a Pesquisa Do Estado de São Paulo (BR) 2008-10-07 — — US claimed
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 — — US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 — — US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 — — US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 — — US disclosed
EP-1572614-B1 METHOD FOR THE PREPARATION OF 1,5-BIS(4-HYDROXY-3-METOXY-PHENYL)-PENTA-1,4-DIEN-3-ONE FUNDACAO DE AMPARO A PESQUISA DO ESTADO DE SAO PAULO (BR) 2013-12-25 — — EP disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 — — US disclosed
US-8324262-B2 Tricyclic necrostatin compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-12-04 — — US disclosed
US-8324262-B2 Tricyclic necrostatin compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-12-04 — — US disclosed
US-8178727-B2 Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2012-05-15 — — US disclosed
US-20100190836-A1 Compounds, Screens, and Methods of Treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-29 — — US disclosed
US-20100190836-A1 Compounds, Screens, and Methods of Treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-29 — — US disclosed
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 — — US disclosed
US-7432401-B2 Method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties Fundação de Amparo a Pesquisa Do Estado de São Paulo (BR) 2008-10-07 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 — — US disclosed
US-20060128997-A1 New method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties FUNDACAO DE AMPARO A PESQUISA DO ESTADO DE SAO PAULO (BR) 2006-06-15 — — US disclosed
EP-1572614-A2 NEW METHOD FOR THE PREPARATION OF 1,5-BIS(4-HYDROXY-3-METOXY-PHENYL)-PENTA-1,4-DIEN-3-ONE AND DERIVATIVES WITH ANTITUMORAL PROPERTIES Fundacio de Amparo Pesquisa do Estado des Sao Paulo (BR) 2005-09-14 — — EP disclosed
WO-2004047716-A2 NEW METHOD FOR THE PREPARATION OF 1,5-BIS(4-HYDROXY-3-METOXY-PHENYL)-PENTA-1,4-DIEN-3-ONE AND DERIVATIVES WITH ANTITUMORAL PROPERTIES Fundação De Amparo À Pesquisa Do Estado de São Paulo (BR) 2004-06-10 — — WO disclosed
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 — — 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 (8 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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 NFKB1 328/4885JUN 60/4885KDM4E 623/4885
US-20100190836-A1 Compounds, Screens, and Methods of Treatment NLN, HTRA2, CLN6 NFKB1 1024/4885JUN 2363/4885KDM4E 4533/4885
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885KDM4E 3658/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885KDM4E 3658/4885
US-20060128997-A1 New method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties DDB1, ANXA1, ANXA5 NFKB1 310/4885JUN 3433/4885KDM4E 2890/4885
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS HTRA2, AIFM1, BAD NFKB1 1051/4885JUN 940/4885KDM4E 4694/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885KDM4E 3658/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 NFKB1 73/4885JUN 786/4885KDM4E 2055/4885

“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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