SCHEMBL20045162

SCHEMBL20045162

COc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)ccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.71
PTGES O14684 1/20 0.71
ALOX5 P09917 1/20 0.71
PTPN1 P18031 4/20 0.69
ABCG2 Q9UNQ0 1/20 0.67
HPGD P15428 2/20 0.56
HSD17B2 P37059 1/20 0.55
TAS2R31 P59538 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
MGAM O43451 1/20 0.52
KDM1A O60341 1/20 0.52
USP2 O75604 1/20 0.52
IDH1 O75874 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL29359086 0.91 PTGES (0.84) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL16769856 0.91 PTGES (0.84) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL20045163 0.89 AKT1 (0.71) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL4149021 0.88 ABCG2 (0.71) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL20045166 0.85 DYRK1A (0.71) AKT1PTGESALOX5PTPN1DYRK1A
SCHEMBL4836863 0.84 AKT1 (1.00) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL31691719 0.84 AKT1 (1.00) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL29357680 0.83 ALOX5 (1.00) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL29928945 0.83 ALOX5 (1.00) AKT1PTGESALOX5PTPN1ABCG2
SCHEMBL12954625 0.83 ALOX5 (1.00) AKT1PTGESALOX5PTPN1ABCG2

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 AKT1 2084/4885PTGES 2629/4885ALOX5 1564/4885
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 AKT1 1100/4885PTGES 2169/4885ALOX5 2981/4885
US-20180098961-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF CANCERS BRDT, BRD4, CKS2 AKT1 450/4885PTGES 2440/4885ALOX5 3411/4885

“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.