SCHEMBL23522374

SCHEMBL23522374

COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)c(O)c(-c4c(OC)cc(O)c5c4C(=O)C4=C(C5=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]4O)c1C3=O)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ PARP1 P09874 7/20 0.41
▸ PTPN1 P18031 7/20 0.41
▸ EPHX2 P34913 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ELANE P08246 2/20 0.37
▸ TERT O14746 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL29362349 1.00 NFKB1 (0.59) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL29359665 0.94 NFKB1 (0.55) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL13063713 0.94 NFKB1 (0.59) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL904371 0.94 NFKB1 (0.59) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL14923296 0.92 NFKB1 (0.57) NFKB1NFKB2RELAPARP1PTPN1
Alterporriol A/B SCHEMBL30948399 0.89 NFKB1 (0.59) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL29360017 0.87 NFKB1 (0.67) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL23522462 0.87 NFKB1 (0.67) NFKB1NFKB2RELAPARP1PTPN1
Alterporriol G/H SCHEMBL904379 0.86 NFKB1 (0.55) NFKB1NFKB2RELAPARP1PTPN1
Alterporriol G/H SCHEMBL15338594 0.86 NFKB1 (0.55) NFKB1NFKB2RELAPARP1PTPN1

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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