SCHEMBL23522371

SCHEMBL23522371

COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)c(-c3c(OC)cc(O)c4c3C(=O)C3=C(C[C@@H](O)[C@@](C)(O)[C@@H]3O)C4=O)c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ IDO1 P14902 1/20 0.43
▸ ELANE P08246 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PARP1 P09874 5/20 0.37
▸ PTPN1 P18031 5/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ EPHX2 P34913 4/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ ACLY P53396 2/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
Alterporriol P SCHEMBL29360385 0.92 NFKB1 (0.49) NFKB1NFKB2RELAIDO1ELANE
Altersolanol C SCHEMBL23199105 0.83 NFKB1 (0.66) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL23522410 0.83 NFKB1 (0.45) NFKB1NFKB2RELAIDO1ALDH1A1
Alterporriol C SCHEMBL29359613 0.79 NFKB1 (0.70) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL29362349 0.78 NFKB1 (0.59) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL23522374 0.78 NFKB1 (0.59) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL29359665 0.77 NFKB1 (0.55) NFKB1NFKB2RELAELANEKDM4E
SCHEMBL29360532 0.77 NFKB1 (0.39) NFKB1NFKB2RELAIDO1PARP1
SCHEMBL23522398 0.77 ELANE (0.54) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL23522375 0.75 ELANE (0.70) NFKB1NFKB2RELAIDO1ELANE

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 4 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
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 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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