SCHEMBL18501598

SCHEMBL18501598

CN(C)CC1C(=O)O[C@@H]2[C@@H]3[C@@H](C[C@@]45OC(C)(C)O[C@@]34CC[C@]53C(=O)C[C@@H]4C3[C@H]3OC(=O)C(CN(C)C)[C@@H]3CCC4(O)CO)C(O)(CO)CC[C@@H]12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 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
SCHEMBL18501594 0.78 — —
SCHEMBL18501595 0.78 — —
SCHEMBL18506516 0.73 — —
SCHEMBL18506506 0.73 — —
SCHEMBL18923642 0.65 — —
SCHEMBL18334105 0.63 ICAM1 (0.32) —
SCHEMBL21527078 0.63 ICAM1 (0.32) —
SCHEMBL18334082 0.63 ICAM1 (0.32) —
SCHEMBL18506517 0.62 KMT2A (0.35) —
SCHEMBL18923565 0.61 — —

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 STAT3 56/4885

“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.

Send feedback