SCHEMBL3207347

SCHEMBL3207347

COc1cc(/C=C/C(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 1.00
JUN P05412 1/20 1.00
VCP P55072 1/20 0.66
NFE2L2 Q16236 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
ALOX5 P09917 1/20 0.65
HSD11B1 P28845 1/20 0.65
STAT3 P40763 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CA2 P00918 1/20 0.60
KMT2A Q03164 4/20 0.59

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
SCHEMBL3207352 1.00 NFKB1 (1.00) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL4906735 0.93 NFKB1 (0.86) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL4906742 0.93 NFKB1 (0.86) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL2219674 0.92 NFKB1 (0.85) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL4557081 0.91 NFKB1 (0.84) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL4557080 0.91 NFKB1 (0.84) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL3674227 0.90 JUN (0.82) NFKB1JUNVCPNFE2L2KDM4E
SCHEMBL3674230 0.90 JUN (0.82) NFKB1JUNVCPNFE2L2KDM4E
SCHEMBL23136648 0.90 JUN (0.82) NFKB1JUNVCPNFE2L2CYP1A2
SCHEMBL20585522 0.90 JUN (0.82) NFKB1JUNVCPNFE2L2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) 2010-02-04 US claimed
EP-2054365-A2 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES Uniban - Universidade Bandeirante De São Paulo (BR) 2009-05-06 EP claimed
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
WO-2008003155-A2 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) 2008-01-10 WO claimed
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
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
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 US disclosed
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885VCP 2969/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885VCP 2969/4885
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER KLK3, ACP3, FOLH1 NFKB1 1799/4885JUN 2183/4885VCP 4539/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885VCP 2969/4885
US-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES CASP3, CYP8B1, DERA NFKB1 1748/4885JUN 4511/4885VCP 2168/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 NFKB1 73/4885JUN 786/4885VCP 4062/4885

“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.