SCHEMBL9972297

SCHEMBL9972297

CCOC(=O)CCC(=O)/C=C/c1ccc(O)c(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 3/20 0.62
▸ MMP2 P08253 2/20 0.62
▸ MMP8 P22894 2/20 0.62
▸ NFKB1 P19838 2/20 0.62
▸ TTR P02766 1/20 0.53
▸ DPP4 P27487 1/20 0.53
▸ IAPP P10997 4/20 0.52
▸ APP P05067 4/20 0.52
▸ TOP2A P11388 2/20 0.51
▸ MMP13 P45452 2/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ MAOB P27338 2/20 0.49
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47

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
SCHEMBL15298274 0.91 CYP4F2 (0.50) MMP9MMP2MMP8NFKB1TTR
SCHEMBL14898162 0.85 TTR (0.74) MMP9MMP2MMP8NFKB1TTR
SCHEMBL18074798 0.85 BACE1 (0.63) MMP9NFKB1TTRDPP4IAPP
SCHEMBL14112804 0.85 MMP2 (0.48) MMP9MMP2MMP8NFKB1TTR
SCHEMBL15298278 0.83 MMP9 (0.64) MMP9MMP2MMP8NFKB1IAPP
SCHEMBL16884579 0.83 TTR (0.63) MMP9MMP2MMP8NFKB1TTR
SCHEMBL9972296 0.82 MAOB (0.74) MMP9MMP2MMP8NFKB1APP
SCHEMBL3750261 0.82 MAOB (0.74) MMP9MMP2MMP8NFKB1APP
SCHEMBL13663908 0.81 MMP9 (0.76) MMP9MMP2MMP8NFKB1IAPP
SCHEMBL12291328 0.81 NFKB1 (0.45) MMP9MMP2MMP8NFKB1TTR

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-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

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

For each of this compound's patents that has machine-readable text (3 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-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 MMP9 99/4885MMP2 311/4885MMP8 125/4885
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 MMP9 99/4885MMP2 311/4885MMP8 125/4885
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 MMP9 247/4885MMP2 792/4885MMP8 463/4885

“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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