SCHEMBL18501603

SCHEMBL18501603

C=C1CC[C@H]2C(CN3CCC(C)CC3)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@@]1(O)[C@]2(O)CC[C@]12C(=O)C[C@H]1C(=C)CC[C@H]3C(CN4CCC(C(F)(F)F)CC4)C(=O)O[C@@H]3[C@H]12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 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
SCHEMBL18506488 0.96 KMT2A (0.31) KMT2A
SCHEMBL18506491 0.92 KMT2A (0.31) KMT2A
SCHEMBL18501599 0.88 KMT2A (0.34) KMT2A
SCHEMBL18506486 0.87 KMT2A (0.34) KMT2A
SCHEMBL18501597 0.87 KMT2A (0.34) KMT2A
SCHEMBL18501600 0.86 KMT2A (0.32) KMT2A
SCHEMBL18501583 0.86 KMT2A (0.34) KMT2A
SCHEMBL18506450 0.84 KMT2A (0.35) KMT2A
SCHEMBL18501580 0.80 — —
SCHEMBL17214387 0.79 — —

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-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

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 1737/4885

“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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