SCHEMBL12866240

SCHEMBL12866240

COc1c(-c2ccc(O)cc2)oc2cc(O)c(CC=C(C)C)c(O)c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 1.00
MGAM O43451 5/20 0.67
GAA P10253 4/20 0.67
SI P14410 4/20 0.67
MGAM2 Q2M2H8 4/20 0.67
NUDT1 P36639 3/20 0.67
IDH1 O75874 3/20 0.67
FASN P49327 3/20 0.67
SIRT2 Q8IXJ6 3/20 0.67
RELA Q04206 3/20 0.67
CYP19A1 P11511 3/20 0.67
PDE4D Q08499 2/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
MAPT P10636 2/20 0.67
SMPD1 P17405 2/20 0.67
AKR1B1 P15121 2/20 0.67
PGAM1 P18669 2/20 0.67
MEN1 O00255 1/20 0.67

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
SCHEMBL30266532 1.00 PTPN1 (1.00) PTPN1MGAMGAASIMGAM2
SCHEMBL26621023 0.93 PTPN1 (0.86) PTPN1MGAMGAASIMGAM2
SCHEMBL30766286 0.91 PTPN1 (0.83) PTPN1MGAMGAASIMGAM2
SCHEMBL27006408 0.91 PTPN1 (0.83) PTPN1MGAMGAASIMGAM2
Licoflavonol SCHEMBL8050093 0.88 ABCG2 (0.82) PTPN1MGAMGAASIMGAM2
Licoflavonol SCHEMBL29392785 0.88 ABCG2 (0.82) PTPN1MGAMGAASIMGAM2
SCHEMBL6822763 0.83 PTPN1 (0.70) PTPN1MGAMGAASIMGAM2
SCHEMBL6822762 0.83 PTPN1 (0.70) PTPN1MGAMGAASIMGAM2
3,6-Dimethoxy Kaempferol SCHEMBL30707828 0.82 TUBB4A (0.83) PTPN1KDM4ECYP3A4CYP2D6MAPT
3,6-Dimethoxy Kaempferol SCHEMBL1156264 0.82 TUBB4A (0.83) PTPN1KDM4ECYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2024-01-18 US disclosed
US-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2024-01-18 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-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
US-7888388-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2011-02-15 US disclosed
US-7888388-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2011-02-15 US disclosed
US-7524975-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2009-04-28 US disclosed
US-7524975-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2009-04-28 US disclosed
US-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2009-02-05 US disclosed
US-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2009-02-05 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 (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 PTPN1 395/4885MGAM 3381/4885GAA 1213/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR PTPN1 395/4885MGAM 3381/4885GAA 1213/4885
US-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME PPARG, PPARA, PPARD PTPN1 945/4885MGAM 1182/4885GAA 2209/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR PTPN1 395/4885MGAM 3381/4885GAA 1213/4885
US-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS THPO, SERPINB1, SERPINC1 PTPN1 1318/4885MGAM 2440/4885GAA 384/4885

“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.