SCHEMBL27013441

SCHEMBL27013441

CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 1.00
ABCG2 Q9UNQ0 1/20 0.71
PDE4D Q08499 3/20 0.69
PTPN1 P18031 8/20 0.67
HPGD P15428 1/20 0.65
NUDT1 P36639 2/20 0.62
DYRK1A Q13627 1/20 0.60
PTGS1 P23219 3/20 0.56
BACE1 P56817 2/20 0.56
TYR P14679 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
CYP19A1 P11511 3/20 0.56
FASN P49327 2/20 0.56
MGAM O43451 1/20 0.56
IDH1 O75874 1/20 0.56
TTR P02766 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
AKR1B1 P15121 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
SCHEMBL30637443 1.00 AKT1 (1.00) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL24075639 0.91 AKT1 (0.83) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL29629602 0.87 ABCG2 (0.83) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL4834777 0.87 ABCG2 (0.83) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL30410935 0.83 ABCG2 (1.00) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL20954091 0.83 ABCG2 (1.00) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL4836863 0.82 AKT1 (1.00) AKT1ABCG2PDE4DPTPN1HPGD
Cudraflavone C SCHEMBL26679530 0.82 PDE4D (1.00) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL31691719 0.82 AKT1 (1.00) AKT1ABCG2PDE4DPTPN1HPGD
SCHEMBL26621014 0.82 ABCG2 (0.81) AKT1ABCG2PDE4DPTPN1HPGD

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-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

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-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS THPO, SERPINB1, SERPINC1 AKT1 4428/4885ABCG2 1601/4885PDE4D 4230/4885

“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.