SCHEMBL24075640

SCHEMBL24075640

CC(C)=CCc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 1.00
AKT1 P31749 3/20 0.84
ABCG2 Q9UNQ0 1/20 0.74
PTGES O14684 1/20 0.65
ALOX5 P09917 1/20 0.65
HPGD P15428 1/20 0.63
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
MGAM O43451 2/20 0.58
CYP19A1 P11511 3/20 0.56
PDE5A O76074 1/20 0.54
ESR1 P03372 1/20 0.54
PDE4D Q08499 1/20 0.54
ESR2 Q92731 1/20 0.54
IDH1 O75874 1/20 0.54
TTR P02766 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
AKR1B1 P15121 1/20 0.54
PGAM1 P18669 1/20 0.54

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
SCHEMBL26621019 0.94 PTPN1 (0.88) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL31691719 0.91 AKT1 (1.00) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL4836863 0.91 AKT1 (1.00) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL26621013 0.89 AKT1 (0.84) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL24074909 0.89 PTPN1 (0.80) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL4834777 0.88 ABCG2 (0.83) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL29629602 0.88 ABCG2 (0.83) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL26621014 0.87 ABCG2 (0.81) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL16769856 0.86 PTGES (0.84) PTPN1AKT1ABCG2PTGESALOX5
SCHEMBL29359086 0.86 PTGES (0.84) PTPN1AKT1ABCG2PTGESALOX5

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-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 US disclosed
WO-2021237371-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-02 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 (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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR PTPN1 395/4885AKT1 972/4885ABCG2 1860/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR PTPN1 395/4885AKT1 972/4885ABCG2 1860/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR PTPN1 395/4885AKT1 972/4885ABCG2 1860/4885

“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.