SCHEMBL9907012

SCHEMBL9907012

COc1ccc(/C=C/C(=O)C(C)(F)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.78
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NFE2L2 Q16236 1/20 0.63
ABCG2 Q9UNQ0 4/20 0.61
MEN1 O00255 1/20 0.61
TNFRSF1A P19438 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
IKBKG Q9Y6K9 1/20 0.56
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
JUN P05412 1/20 0.55
NFKB1 P19838 1/20 0.55
PDE4A P27815 1/20 0.55

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
SCHEMBL9907027 0.90 KMT2A (0.64) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL23023653 0.89 KMT2A (0.75) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL3125899 0.88 KMT2A (1.00) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL30130358 0.88 KMT2A (0.82) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL29497174 0.88 KMT2A (0.82) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL30130359 0.88 KMT2A (0.82) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL10054233 0.88 KMT2A (0.82) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL3125894 0.88 KMT2A (1.00) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL20996005 0.84 KMT2A (0.71) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL29757529 0.84 KMT2A (0.71) KMT2AKDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150203-A1 COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Allianz Pharmascience Ltd (TW) 2017-04-05 EP disclosed
US-9562025-B2 Compounds with (1E, 6E)-1,7-Bis-(3,4-dimethoxyphenyl)-4-4-distributed-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ALLIANZ PHARMASCIENCE LTD. (TW) 2017-02-07 US disclosed
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Annji Pharmaceutical Co., Ltd. (TW) 2016-09-15 US disclosed
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof Annji Pharmaceutical Co., Ltd. (TW) 2015-07-09 US disclosed
US-9000222-B2 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ANDROSCIENCE CORPORATION (US) 2015-04-07 US disclosed
US-8198323-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-06-12 US disclosed
US-8198323-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-06-12 US disclosed
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF The University of North Carlina at Chapel Hill (US) 2010-08-05 US disclosed
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF The University of North Carlina at Chapel Hill (US) 2010-08-05 US disclosed
US-7709535-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-04 US disclosed
US-7709535-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-04 US disclosed
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA (US) 2008-07-03 US disclosed
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA (US) 2008-07-03 US disclosed
US-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-06-19 US disclosed
US-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-06-19 US disclosed
US-7355081-B2 androgen receptor antagonists; certain cancers, baldness, hirsutism, behavioral disorders, acne, and inhibition of spermatogenesis if so desired THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-04-08 US disclosed
US-7355081-B2 androgen receptor antagonists; certain cancers, baldness, hirsutism, behavioral disorders, acne, and inhibition of spermatogenesis if so desired THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-04-08 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 (5 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-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT KMT2A 2051/4885KDM4E 3111/4885ALDH1A1 127/4885
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof AR, BRCA1, CYP17A1 KMT2A 2312/4885KDM4E 1922/4885ALDH1A1 62/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT KMT2A 2051/4885KDM4E 3111/4885ALDH1A1 127/4885
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF AR, CYP17A1, SRD5A1 KMT2A 2381/4885KDM4E 848/4885ALDH1A1 181/4885
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT KMT2A 2051/4885KDM4E 3111/4885ALDH1A1 127/4885

“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.