SCHEMBL20045166

SCHEMBL20045166

COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1N

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
AKT1 P31749 2/20 0.71
PDE5A O76074 3/20 0.69
ESR1 P03372 1/20 0.69
PDE4D Q08499 1/20 0.69
ESR2 Q92731 1/20 0.69
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
CYP3A4 P08684 1/20 0.56
KDM1A O60341 1/20 0.56
PKMYT1 Q99640 1/20 0.56
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
PTPN1 P18031 2/20 0.49
CYP19A1 P11511 1/20 0.49
APP P05067 1/20 0.48
BCL2 P10415 1/20 0.48

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
SCHEMBL20045159 0.91 DYRK1A (0.84) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL28950297 0.87 SLC22A2 (0.72) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL3192297 0.86 AKT1 (0.71) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL20045162 0.85 AKT1 (0.71) DYRK1ADYRK1BAKT1PDE4DKDM4E
SCHEMBL4227433 0.85 PDE5A (0.80) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL4828372 0.83 AKT1 (1.00) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL20045165 0.83 DYRK1A (1.00) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL1231403 0.82 PDE4D (1.00) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL29808504 0.82 PDE4D (1.00) DYRK1ADYRK1BAKT1PDE5AESR1
SCHEMBL4836826 0.82 PDE5A (0.78) DYRK1ADYRK1BAKT1PDE5AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121437-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF MULTIPLE MYELOMA, LYMPHOMA, AND LEUKEMIA LOWE HENRY (US) 2021-04-29 US disclosed
US-20190083452-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS LOTHERA, LLC 2019-03-21 US disclosed
US-20180098961-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF CANCERS FLAVOCURE BIOTECH, INC. 2018-04-12 US disclosed
US-20180098961-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF CANCERS FLAVOCURE BIOTECH, INC. 2018-04-12 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-20190083452-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS NCSTN, CHLSN, CNTN1 DYRK1A 2932/4885DYRK1B 2665/4885AKT1 2084/4885
US-20210121437-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF MULTIPLE MYELOMA, LYMPHOMA, AND LEUKEMIA FYN, SIRT1, SIRT3 DYRK1A 2110/4885DYRK1B 2113/4885AKT1 1100/4885
US-20180098961-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF CANCERS BRDT, BRD4, CKS2 DYRK1A 2472/4885DYRK1B 2251/4885AKT1 450/4885

“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.