SCHEMBL23813803

SCHEMBL23813803

CC(C)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PDE4A P27815 1/20 0.30

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
SCHEMBL27448156 0.88 KDM4E (0.41) KDM4EGPBAR1ALDH1A1PDE4A
SCHEMBL27443608 0.88 KDM4E (0.41) KDM4EGPBAR1ALDH1A1PDE4A
SCHEMBL20224631 0.88 KDM4E (0.38) KDM4EGPBAR1ALDH1A1PDE4A
SCHEMBL23813853 0.87 GPBAR1 (0.35) KDM4EGPBAR1ALDH1A1
SCHEMBL18494029 0.81 MMP8 (0.41) ALDH1A1
SCHEMBL23813884 0.80 KDM4E (0.38) KDM4EPDE4A
SCHEMBL22738631 0.79 KDM4E (0.46) KDM4EGPBAR1ALDH1A1PDE4A
SCHEMBL20224696 0.79 GPBAR1 (0.35) KDM4EGPBAR1ALDH1A1
SCHEMBL27315841 0.79 KDM4E (0.43) KDM4EGPBAR1ALDH1A1PDE4A
SCHEMBL25950269 0.79 KDM4E (0.43) KDM4EGPBAR1ALDH1A1PDE4A

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
US-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 — — US disclosed
US-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 — — US disclosed
US-20210283125-A1 CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF FORTVITA BIOLOGICS LIMITED (CN) 2021-09-16 — — 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-20210283125-A1 CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF TOP2A, TOP1, XPA KDM4E 3831/4885GPBAR1 3749/4885ALDH1A1 1163/4885
US-12029736-B2 Camptothecin derivatives and conjugates thereof TOP2A, TOP1, XPA KDM4E 3831/4885GPBAR1 3749/4885ALDH1A1 1163/4885

“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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