SCHEMBL21100865

SCHEMBL21100865

CC(C)(C)OC(=O)/N=C(/CCc1ccc(OCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.35
HDAC8 Q9BY41 1/20 0.35
ADRB2 P07550 2/20 0.35
ABCB1 P08183 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33

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 0.84 ABCG2 (0.40) ABCG2ABCB1SUCNR1L3MBTL1CA1
SCHEMBL17919158 0.79 FAAH (0.44) ABCG2ABCB1SUCNR1L3MBTL1CA1
SCHEMBL21100864 0.79 FAAH (0.44) ABCG2ABCB1SUCNR1L3MBTL1CA1
SCHEMBL17919107 0.79 CA1 (0.50) ADRB2SUCNR1LMNAITGB3ITGA2B
SCHEMBL21479482 0.77 CA1 (0.40) ABCG2ABCB1SUCNR1CA1CA2
SCHEMBL13820229 0.77 HDAC8 (0.45) ABCG2HDAC8LMNAKMT2A
SCHEMBL13764449 0.77 HDAC8 (0.45) ABCG2HDAC8LMNAKMT2A
SCHEMBL15849827 0.77 HDAC8 (0.45) ABCG2HDAC8LMNAKMT2A
SCHEMBL18069670 0.75 ABCG2 (0.41) ABCG2HDAC8ABCB1LMNACA1
SCHEMBL17282260 0.74 ITGB3 (0.63) HDAC8SUCNR1ITGB3ITGA2B

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-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 ABCG2 673/4885HDAC8 2804/4885ADRB2 16/4885

“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.