SCHEMBL21100864

SCHEMBL21100864

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
HDAC1 Q13547 1/20 0.44
BCHE P06276 1/20 0.43
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
ABCG2 Q9UNQ0 7/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL17919158 1.00 FAAH (0.44) FAAHHDAC1BCHECNR2L3MBTL1
SCHEMBL21479482 0.89 CA1 (0.40) FAAHHDAC1BCHECNR2CA12
SCHEMBL21479563 0.88 ABCG2 (0.40) FAAHHDAC1BCHECNR2L3MBTL1
SCHEMBL17919107 0.86 CA1 (0.50) BCHECNR2CA12CA1CA2
SCHEMBL27445962 0.85 KDM4E (0.41) ABCG2GAAABCB1
SCHEMBL15849827 0.84 HDAC8 (0.45) FAAHABCG2
SCHEMBL13764449 0.84 HDAC8 (0.45) FAAHABCG2
SCHEMBL13820229 0.84 HDAC8 (0.45) FAAHABCG2
SCHEMBL21100866 0.83 HDAC1 (0.48) FAAHHDAC1BCHECNR2L3MBTL1
SCHEMBL30670755 0.83 L3MBTL1 (0.51) FAAHHDAC1BCHECNR2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773540-B1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC (US) 2024-07-03 EP disclosed
WO-2019199532-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC (US) 2019-10-17 WO disclosed
US-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC. (US) 2019-06-25 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-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 FAAH 3079/4885HDAC1 2731/4885BCHE 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.