SCHEMBL21479482

SCHEMBL21479482

C/N=C(/NCc1ccc(OCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
BCHE P06276 1/20 0.40
CNR2 P34972 1/20 0.40
ABCG2 Q9UNQ0 10/20 0.39
ABCB1 P08183 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
GAA P10253 1/20 0.37
FAAH O00519 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21479563 0.91 ABCG2 (0.40) CA1CA2BCHECNR2ABCG2
SCHEMBL21100864 0.89 FAAH (0.44) CA1CA2BCHECNR2ABCG2
SCHEMBL17919158 0.89 FAAH (0.44) CA1CA2BCHECNR2ABCG2
SCHEMBL27445962 0.79 KDM4E (0.41) ABCG2ABCB1GAA
SCHEMBL17919107 0.78 CA1 (0.50) CA1CA2BCHECNR2SUCNR1
SCHEMBL13764449 0.78 HDAC8 (0.45) ABCG2FAAH
SCHEMBL15849827 0.78 HDAC8 (0.45) ABCG2FAAH
SCHEMBL13820229 0.78 HDAC8 (0.45) ABCG2FAAH
SCHEMBL21100865 0.77 ABCG2 (0.35) CA1CA2BCHECNR2ABCG2
SCHEMBL21100862 0.77 CA1 (0.42) CA1CA2BCHECNR2SUCNR1

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-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC 2019-10-17 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-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885BCHE 2590/4885

“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.