SCHEMBL18501596

SCHEMBL18501596

C=C1CC[C@H]2C(CN3CCCC3)C(=O)O[C@@H]2C2[C@H]1CC(=O)[C@]21CC[C@@]23OC(C)(C)O[C@]21C[C@H]1C(=C)CC[C@H]2C(CN4CCCC4)C(=O)O[C@@H]2[C@H]13

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ MITF O75030 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ POLB P06746 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
SCHEMBL18506517 0.96 KMT2A (0.35) KMT2AMEN1MITFATMPOLB
SCHEMBL18501595 0.87 — —
SCHEMBL18923642 0.85 — —
SCHEMBL18506506 0.84 — —
SCHEMBL17214357 0.80 PKM (0.36) KMT2AMEN1
SCHEMBL18501594 0.78 — —
SCHEMBL18501583 0.78 KMT2A (0.34) KMT2AMEN1MITFATMPOLB
SCHEMBL18506516 0.75 — —
SCHEMBL18501597 0.74 KMT2A (0.34) KMT2A
SCHEMBL18506486 0.74 KMT2A (0.34) KMT2A

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
US-9670226-B2 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-06-06 — — US disclosed
US-9670226-B2 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-06-06 — — US disclosed
US-20170044180-A1 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-02-16 — — US disclosed
US-20170044180-A1 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-02-16 — — 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 (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-20170044180-A1 Sesquiterpenoids NFKBIA, RELA, IKBKG KMT2A 1737/4885MEN1 1702/4885MITF 925/4885

“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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