SCHEMBL23199091

SCHEMBL23199091

COc1cc(O)c2c(c1O)C(=O)C1=C(CC(O)C(C)(O)C1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.43
▸ TERT O14746 4/20 0.39
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTPN1 P18031 5/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL23522427 0.87 SOS1 (0.39) SOS1GAAPTPN1PARP1IDO1
SCHEMBL23198999 0.82 NFKB1 (0.44) SOS1TERTGAAALDH1A1ALOX5
Altersolanol B SCHEMBL30514811 0.80 NFKB1 (0.52) SOS1GAAALDH1A1ALOX5IDO1
Altersolanol B SCHEMBL23522406 0.80 NFKB1 (0.52) SOS1GAAALDH1A1ALOX5IDO1
SCHEMBL29360532 0.79 NFKB1 (0.39) SOS1TERTPTPN1PARP1IDO1
SCHEMBL23522416 0.79 SOS1 (0.31) SOS1TERT
SCHEMBL23522423 0.78 IDO1 (0.46) SOS1GAAALDH1A1PTPN1IDO1
SCHEMBL23522410 0.73 NFKB1 (0.45) TERTALDH1A1PTPN1PARP1IDO1
SCHEMBL23522456 0.66 IDO1 (0.47) GAAALDH1A1IDO1NFKB1NFKB2
SCHEMBL5820346 0.66 MEN1 (0.47) ALDH1A1MEN1KMT2AMAOA

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-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
EP-3801507-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) 2021-04-14 — — EP 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 SOS1 4317/4885TERT 1849/4885GAA 2998/4885

“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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