SCHEMBL20045168

SCHEMBL20045168

COc1cc(-c2cc(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(OC)cc3o2)ccc1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.90
PTGES O14684 1/20 0.90
DYRK1A Q13627 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
AKT1 P31749 1/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
PTPN1 P18031 1/20 0.57
HSD17B2 P37059 1/20 0.56
TAS2R31 P59538 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
ABCC1 P33527 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1B1 Q16678 1/20 0.56
ABCG2 Q9UNQ0 2/20 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
SCHEMBL29357680 0.95 ALOX5 (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL29928945 0.95 ALOX5 (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL12954625 0.95 ALOX5 (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL20045161 0.89 ALOX5 (0.90) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL29359086 0.86 PTGES (0.84) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL16769856 0.86 PTGES (0.84) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL20045165 0.85 DYRK1A (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL26621012 0.83 ALOX5 (0.79) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL21901981 0.82 PTGES (0.74) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL3336171 0.81 ALOX5 (0.77) ALOX5PTGESDYRK1ADYRK1BAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180098961-A1 THERAPEUTIC AGENTS CONTAINING CANNABIS FLAVONOID DERIVATIVES TARGETING KINASES, SIRTUINS AND ONCOGENIC AGENTS FOR THE TREATMENT OF CANCERS BRDT, BRD4, CKS2 ALOX5 3411/4885PTGES 2440/4885DYRK1A 2472/4885

“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.