SCHEMBL16702807

SCHEMBL16702807

O=C(O)CC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.85
AKR1B10 O60218 2/20 0.85
MAOB P27338 2/20 0.85
PTGS2 P35354 1/20 0.85
GLO1 Q04760 1/20 0.85
CAMK2A Q9UQM7 1/20 0.85
BACE1 P56817 15/20 0.65
TYR P14679 2/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
ESR1 P03372 1/20 0.62
CA3 P07451 1/20 0.62
PKM P14618 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
DPP4 P27487 1/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62

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
SCHEMBL16702808 1.00 AKR1B1 (0.85) AKR1B1AKR1B10MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL2574140 0.92 AKR1B1 (1.00) AKR1B1AKR1B10MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL428638 0.92 AKR1B1 (1.00) AKR1B1AKR1B10MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL28163045 0.90 AKR1B1 (0.96) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL7067334 0.84 HAO1 (0.75) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL10348520 0.84 HAO1 (0.75) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL23728364 0.83 AKR1B1 (0.81) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL1646481 0.83 AKR1B1 (0.81) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL3221765 0.83 AKR1B1 (0.81) AKR1B1AKR1B10MAOBPTGS2GLO1
SCHEMBL12469736 0.83 AKR1B1 (0.81) AKR1B1AKR1B10MAOBPTGS2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118773100-A Recombinant escherichia coli for de novo synthesis of coumaroyl acetic acid as well as construction method and application thereof 郑州大学 2024-10-15 CN claimed
US-9738605-B2 Hybrid compounds of curcumin and melatonin as neuroprotectants for neurodegenerative disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-22 US claimed
US-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-10-06 US claimed
WO-2015069970-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-05-14 WO claimed
CN-118773100-A Recombinant escherichia coli for de novo synthesis of coumaroyl acetic acid as well as construction method and application thereof 郑州大学 2024-10-15 CN disclosed
CN-118773101-A Recombinant escherichia coli for synthesizing trans-artemia from head and construction method and application 郑州大学 2024-10-15 CN disclosed
CN-118773099-A Recombinant escherichia coli for de novo synthesis of iso-preferably phenol, and construction method and application thereof 郑州大学 2024-10-15 CN disclosed
CN-118773098-A Recombinant escherichia coli for synthesizing trans-anethole from head and construction method and application thereof 郑州大学 2024-10-15 CN disclosed
CN-118773100-A Recombinant escherichia coli for de novo synthesis of coumaroyl acetic acid as well as construction method and application thereof 郑州大学 2024-10-15 CN disclosed
CN-118773097-A Recombinant escherichia coli for de novo synthesis of good-taste phenol, construction method and application 郑州大学 2024-10-15 CN disclosed
CN-118773100-A Recombinant escherichia coli for de novo synthesis of coumaroyl acetic acid as well as construction method and application thereof 郑州大学 2024-10-15 CN disclosed
US-9738605-B2 Hybrid compounds of curcumin and melatonin as neuroprotectants for neurodegenerative disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-22 US disclosed
US-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-10-06 US disclosed
WO-2015069970-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-05-14 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-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS MTNR1A, MTNR1B, HTT AKR1B1 1824/4885AKR1B10 1144/4885MAOB 231/4885

“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.