SCHEMBL15491009

SCHEMBL15491009

CC(=O)OC1[C@H](C)C(=O)[C@@]23C[C@H](C)[C@H](OC(C)=O)C2(/C=C(/C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@H]1C2(C)C)O3

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 3/20 0.46
KCNJ3 P48549 3/20 0.46
ABCB1 P08183 14/20 0.44
SLC43A1 O75387 1/20 0.40

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
SCHEMBL15492800 1.00 KCNJ5 (0.46) KCNJ5KCNJ3ABCB1SLC43A1
SCHEMBL29569931 0.97 KCNJ5 (0.43) KCNJ5KCNJ3ABCB1SLC43A1
SCHEMBL15492824 0.94 KCNJ5 (0.41) KCNJ5KCNJ3ABCB1SLC43A1
SCHEMBL15491010 0.94 KCNJ5 (0.41) KCNJ5KCNJ3ABCB1SLC43A1
SCHEMBL15491012 0.86 KCNJ5 (0.36) KCNJ5KCNJ3ABCB1
SCHEMBL15492799 0.86 KCNJ5 (0.36) KCNJ5KCNJ3ABCB1
SCHEMBL15491008 0.81 KCNJ5 (0.37) KCNJ5KCNJ3ABCB1
SCHEMBL15492801 0.81 KCNJ5 (0.37) KCNJ5KCNJ3ABCB1
Kansuinin F SCHEMBL15977093 0.63 ABCB1 (0.67) KCNJ5KCNJ3ABCB1
Euphomelliferene A SCHEMBL29361080 0.63 KCNJ5 (0.89) KCNJ5KCNJ3ABCB1

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-8846768-B2 Use of compounds isolated from Euphorbia neriifolia for treating cancer and/or thrombocytopenia MACKAY MEMORIAL HOSPITAL (TW) 2014-09-30 US disclosed
US-20140056995-A1 USE OF COMPOUNDS ISOLATED FROM EUPHORBIA NERIIFOLIA FOR TREATING CANCER AND/OR THROMBOCYTOPENIA MACKAY MEMORIAL HOSPITAL (TW) 2014-02-27 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-20140056995-A1 USE OF COMPOUNDS ISOLATED FROM EUPHORBIA NERIIFOLIA FOR TREATING CANCER AND/OR THROMBOCYTOPENIA PPIP5K2, XPOT, ING2 KCNJ5 3662/4885KCNJ3 3775/4885ABCB1 969/4885

“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.