SCHEMBL29554530

SCHEMBL29554530

COC(=O)c1cc(N)c(OC[C@@]2(C(OC)OC)CCCc3cc(Cl)ccc32)cc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ SCN9A Q15858 6/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BDKRB1 P46663 2/20 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
SCHEMBL19285441 1.00 ABL1 (0.36) ABL1KDM4CKDM1ASYKSCN9A
SCHEMBL19285442 1.00 ABL1 (0.36) ABL1KDM4CKDM1ASYKSCN9A
SCHEMBL23669554 0.93 ABL1 (0.36) ABL1KDM4CKDM1ASCN9ABACE1
SCHEMBL23669556 0.93 ABL1 (0.36) ABL1KDM4CKDM1ASCN9ABACE1
SCHEMBL29553798 0.93 ABL1 (0.36) ABL1KDM4CKDM1ASCN9ABACE1
SCHEMBL23671128 0.92 KDM4C (0.37) KDM4CKDM1ASCN9A
SCHEMBL23670689 0.87 KDM4C (0.37) KDM4CKDM1A
SCHEMBL19285180 0.87 TDP1 (0.36) KDM4CSYK
SCHEMBL29552537 0.87 TDP1 (0.36) KDM4CSYK
SCHEMBL19285181 0.87 TDP1 (0.36) KDM4CSYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 — — 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-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ABL1 36/4885KDM4C 3483/4885KDM1A 1212/4885

“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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