SCHEMBL4005087

SCHEMBL4005087

CC(=O)CC(=O)/C=C/c1ccc(O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.71
PTGS1 P23219 2/20 0.67
APP P05067 6/20 0.61
TTR P02766 4/20 0.61
HSD17B10 Q99714 4/20 0.60
BACE1 P56817 4/20 0.60
CYP2C9 P11712 3/20 0.60
TSHR P16473 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
AKR1B1 P15121 3/20 0.60
MAOA P21397 3/20 0.60
CYP2D6 P10635 2/20 0.60
MEN1 O00255 2/20 0.60
HDAC3 O15379 2/20 0.60
CA12 O43570 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
LMNA P02545 2/20 0.60

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
SCHEMBL4005096 1.00 IAPP (0.71) IAPPPTGS1APPTTRHSD17B10
Didemethylcurcumin SCHEMBL613667 0.91 IAPP (0.77) IAPPPTGS1APPTTRHSD17B10
Didemethylcurcumin SCHEMBL613666 0.91 IAPP (0.77) IAPPPTGS1APPTTRHSD17B10
SCHEMBL13810759 0.87 IAPP (0.67) IAPPPTGS1APPTTRHSD17B10
SCHEMBL9800788 0.86 BACE1 (0.76) IAPPPTGS1APPHSD17B10BACE1
SCHEMBL16881737 0.85 IAPP (0.69) IAPPPTGS1APPTTRHSD17B10
SCHEMBL29565303 0.85 AKR1B1 (0.76) IAPPAPPTTRHSD17B10BACE1
SCHEMBL3671196 0.85 AKR1B1 (0.76) IAPPAPPTTRHSD17B10BACE1
SCHEMBL3671201 0.85 AKR1B1 (0.76) IAPPAPPTTRHSD17B10BACE1
SCHEMBL14802240 0.84 MMP9 (0.71) IAPPPTGS1APPHSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901618-B1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE SYMRISE GMBH & CO KG (DE) 2009-06-17 EP claimed
US-20080227866-A1 Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste SYMRISE GMBH & CO. KG (DE) 2008-09-18 US claimed
EP-1901618-A1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE Symrise GmbH & Co. KG (DE) 2008-03-26 EP claimed
WO-2007003527-A1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE SYMRISE GMBH & CO. KG (DE) 2007-01-11 WO claimed
EP-1901618-B1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE SYMRISE GMBH & CO KG (DE) 2009-06-17 EP disclosed
US-20080227866-A1 Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste SYMRISE GMBH & CO. KG (DE) 2008-09-18 US disclosed
US-20080227866-A1 Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste SYMRISE GMBH & CO. KG (DE) 2008-09-18 US disclosed
US-20080227866-A1 Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste SYMRISE GMBH & CO. KG (DE) 2008-09-18 US disclosed
EP-1901618-A1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE Symrise GmbH & Co. KG (DE) 2008-03-26 EP disclosed
WO-2007003527-A1 HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE SYMRISE GMBH & CO. KG (DE) 2007-01-11 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 (1 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-20080227866-A1 Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste TAS2R1, TAS2R5, TAS2R50 IAPP 1523/4885PTGS1 1610/4885APP 3569/4885

“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.