SCHEMBL27013445

SCHEMBL27013445

C=C(C)[C@H](CC=C(C)C)Cc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccc(O)cc1O)[C@@H](O)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.58
▸ SLC5A1 P13866 2/20 0.58
▸ SLC5A2 P31639 2/20 0.58
▸ ABCG2 Q9UNQ0 2/20 0.58
▸ CACNA1H O95180 2/20 0.58
▸ CACNA1G O43497 1/20 0.58
▸ PTGS1 P23219 2/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ SOAT1 P35610 1/20 0.54
▸ BCHE P06276 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ IDO1 P14902 2/20 0.53
▸ CYP19A1 P11511 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39

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
SCHEMBL564482 0.92 BACE1 (0.57) BACE1SLC5A1SLC5A2ABCG2CACNA1H
Kushenol X SCHEMBL4809925 0.88 BACE1 (0.72) BACE1SLC5A1SLC5A2ABCG2CACNA1H
SCHEMBL564492 0.87 IDO1 (0.67) ABCG2CACNA1HCACNA1GESR1IDO1
Kushenol N SCHEMBL27013513 0.84 BACE1 (0.73) BACE1SLC5A1SLC5A2ABCG2CACNA1H
SCHEMBL564325 0.84 BACE1 (0.80) BACE1SLC5A1SLC5A2ABCG2CACNA1H
Kushenol N SCHEMBL564568 0.84 BACE1 (0.73) BACE1SLC5A1SLC5A2ABCG2CACNA1H
Kushenol N SCHEMBL564366 0.84 BACE1 (0.73) BACE1SLC5A1SLC5A2ABCG2CACNA1H
SCHEMBL27013439 0.84 BACE1 (0.80) BACE1SLC5A1SLC5A2ABCG2CACNA1H
Kushenol N SCHEMBL30451391 0.84 BACE1 (0.73) BACE1SLC5A1SLC5A2ABCG2CACNA1H
Kushenol N SCHEMBL27013512 0.84 BACE1 (0.73) BACE1SLC5A1SLC5A2ABCG2CACNA1H

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 BACE1 3298/4885SLC5A1 77/4885SLC5A2 256/4885

“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.

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