SCHEMBL23522410

SCHEMBL23522410

COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C3=O)C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ IDO1 P14902 1/20 0.37
▸ ACHE P22303 3/20 0.34
▸ PTPN1 P18031 5/20 0.33
▸ TERT O14746 2/20 0.33
▸ PARP1 P09874 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ AKR1B10 O60218 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ TCF4 P15884 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32

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
SCHEMBL29360532 0.86 NFKB1 (0.39) NFKB1NFKB2RELAIDO1PTPN1
SCHEMBL23522371 0.83 NFKB1 (0.50) NFKB1NFKB2RELAIDO1PTPN1
Altersolanol C SCHEMBL23199105 0.81 NFKB1 (0.66) NFKB1NFKB2RELAIDO1KDM4E
SCHEMBL23522462 0.80 NFKB1 (0.67) NFKB1NFKB2RELAIDO1ACHE
SCHEMBL29360017 0.80 NFKB1 (0.67) NFKB1NFKB2RELAIDO1ACHE
SCHEMBL23522388 0.80 NFKB1 (0.41) NFKB1NFKB2RELAIDO1
SCHEMBL29358605 0.80 NFKB1 (0.41) NFKB1NFKB2RELAIDO1
SCHEMBL23198998 0.80 NFKB1 (0.41) NFKB1NFKB2RELAIDO1
SCHEMBL23522417 0.80 NFKB1 (0.41) NFKB1NFKB2RELAIDO1
SCHEMBL29361424 0.80 NFKB1 (0.41) NFKB1NFKB2RELAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943085-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2022-01-26 — — EP claimed
EP-3943085-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2022-01-26 — — EP disclosed
US-20210186947-A1 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH ZURICH (CH) 2021-06-24 — — 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-20210186947-A1 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION TOMM70, TOMM34, TIMM50 NFKB1 871/4885NFKB2 667/4885RELA 1715/4885

“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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