SCHEMBL9972319

SCHEMBL9972319

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NFE2L2 Q16236 1/20 0.54
NFKB1 P19838 3/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
KMT2A Q03164 3/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
MEN1 O00255 2/20 0.50
JUN P05412 2/20 0.50
IKBKB O14920 2/20 0.49
CHUK O15111 2/20 0.49
IKBKG Q9Y6K9 2/20 0.49
GLO1 Q04760 2/20 0.49

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
SCHEMBL15298299 1.00 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL11928836 0.94 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL9972294 0.89 SMN1; SMN2 (0.69) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298363 0.87 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298332 0.86 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298361 0.85 NFE2L2 (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298365 0.85 NFE2L2 (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL14606219 0.85 NFE2L2 (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298370 0.85 NFKB1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL15298369 0.85 NFKB1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8710272-B2 Compounds with (1 E, 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) 2014-04-29 US disclosed
US-20130261121-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) 2013-10-03 US disclosed
US-8202905-B2 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof ANDROSCIENCE CORPORATION (US) 2012-06-19 US disclosed
US-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2010-11-18 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 (4 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-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 KDM4E 484/4885SMN1; SMN2 4172/4885ALDH1A1 112/4885
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 KDM4E 1922/4885SMN1; SMN2 118/4885ALDH1A1 62/4885
US-20130261121-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 KDM4E 1922/4885SMN1; SMN2 118/4885ALDH1A1 62/4885
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 KDM4E 848/4885SMN1; SMN2 381/4885ALDH1A1 181/4885

“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.