Columbianetin

Columbianetin

SCHEMBL21527679

CC(C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 1.00
▸ HPGD P15428 7/20 1.00
▸ ALDH1A1 P00352 6/20 1.00
▸ GAA P10253 2/20 1.00
▸ ABCB1 P08183 1/20 0.68
▸ LMNA P02545 1/20 0.65
▸ ACHE P22303 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ DPP4 P27487 2/20 0.47
▸ GLO1 Q04760 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ RARA P10276 1/20 0.41

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
Columbianetin SCHEMBL20356593 1.00 KDM4E (1.00) KDM4EHPGDALDH1A1GAAABCB1
Columbianetin SCHEMBL50251 1.00 KDM4E (1.00) KDM4EHPGDALDH1A1GAAABCB1
SCHEMBL30256774 0.88 KDM4E (0.79) KDM4EHPGDALDH1A1GAAABCB1
SCHEMBL12247775 0.85 KDM4E (0.79) KDM4EHPGDALDH1A1GAAABCB1
SCHEMBL31438609 0.85 KDM4E (0.79) KDM4EHPGDALDH1A1GAAABCB1
SCHEMBL29390971 0.81 ABCB1 (1.00) KDM4EHPGDALDH1A1GAAABCB1
Columbianadin SCHEMBL14424509 0.80 KDM4E (1.00) KDM4EHPGDALDH1A1GAAABCB1
SCHEMBL30794498 0.80 KDM4E (0.74) KDM4EHPGDALDH1A1GAAABCB1
Angelmarin SCHEMBL30443353 0.75 KDM4E (0.63) KDM4EHPGDALDH1A1GAAABCB1
Angelmarin SCHEMBL29507688 0.75 KDM4E (0.63) KDM4EHPGDALDH1A1GAAABCB1

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-20210363121-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA UNIV DEGLI STUDI ROMA LA SAPIENZA (IT) 2021-11-25 — — US disclosed
US-20190337916-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-11-07 — — 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 (2 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-20190337916-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA NOTCH1, DNER, NOTCH2 KDM4E 921/4885HPGD 2958/4885ALDH1A1 2580/4885
US-20210363121-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA NOTCH1, DNER, NOTCH2 KDM4E 921/4885HPGD 2958/4885ALDH1A1 2580/4885

“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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