Macarangin

Macarangin

SCHEMBL21065396

CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 1.00
PTPN1 P18031 3/20 0.66
MGAM O43451 5/20 0.62
GAA P10253 4/20 0.61
SI P14410 4/20 0.61
MGAM2 Q2M2H8 4/20 0.61
SMPD1 P17405 2/20 0.61
CYP19A1 P11511 1/20 0.60
ALOX5 P09917 2/20 0.59
PDE4D Q08499 1/20 0.59
PTGES O14684 1/20 0.58
NUDT1 P36639 1/20 0.56

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
Macarangin SCHEMBL30234138 1.00 ABCG2 (1.00) ABCG2PTPN1MGAMGAASI
SCHEMBL6822263 0.91 ABCG2 (0.84) ABCG2PTPN1MGAMGAASI
SCHEMBL6822261 0.91 ABCG2 (0.84) ABCG2PTPN1MGAMGAASI
Licoflavonol SCHEMBL29392785 0.91 ABCG2 (0.82) ABCG2PTPN1MGAMGAASI
Licoflavonol SCHEMBL8050093 0.91 ABCG2 (0.82) ABCG2PTPN1MGAMGAASI
SCHEMBL18037681 0.85 MGAM (0.75) ABCG2PTPN1MGAMGAASI
SCHEMBL18037680 0.85 MGAM (0.75) ABCG2PTPN1MGAMGAASI
SCHEMBL3336163 0.84 ALOX5 (0.77) ABCG2PTPN1MGAMGAASI
SCHEMBL3336171 0.84 ALOX5 (0.77) ABCG2PTPN1MGAMGAASI
SCHEMBL29833892 0.84 ALOX5 (0.77) ABCG2PTPN1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102653-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2024-10-01 US disclosed
US-20240000841-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM ST ANNA KINDERKREBSFORSCHUNG (AT) 2024-01-04 US disclosed
US-11844813-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2023-12-19 US disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
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-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2022-02-10 US disclosed
US-20210386781-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) UNIVERSITÄT FÜR BODENKULTUR WIEN (AT) 2021-12-16 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
EP-3860643-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
EP-3860642-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
US-20200390813-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-12-17 US disclosed
EP-3728306-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM St. Anna Kinderkrebsforschung (AT) 2020-10-28 EP disclosed
WO-2020070290-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
WO-2020070289-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
EP-3502130-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM St. Anna Kinderkrebsforschung (AT) 2019-06-26 EP 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 (5 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 ABCG2 1860/4885PTPN1 395/4885MGAM 3381/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR ABCG2 1860/4885PTPN1 395/4885MGAM 3381/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR ABCG2 1860/4885PTPN1 395/4885MGAM 3381/4885
US-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) CARS1, CD74, HAVCR2 ABCG2 3223/4885PTPN1 1563/4885MGAM 2470/4885
US-20210386781-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) CD74, HAVCR2, CD2BP2 ABCG2 4376/4885PTPN1 1140/4885MGAM 1901/4885

“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.