SCHEMBL21100862

SCHEMBL21100862

CC(C)(C)OC(=O)/N=C(/NCc1ccc(OCCOCCOCCOCCOCCOCCOCCN)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
HDAC1 Q13547 1/20 0.41
BCHE P06276 2/20 0.41
CNR2 P34972 2/20 0.41
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
FAAH O00519 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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 0.86 ABCG2 (0.40) CA1CA2HDAC1BCHECNR2
SCHEMBL21100941 0.86 HDAC1 (0.53) CA1CA2HDAC1BCHECNR2
SCHEMBL17919156 0.86 HDAC1 (0.53) CA1CA2HDAC1BCHECNR2
SCHEMBL21101050 0.82 CA1 (0.43) CA1CA2BCHECNR2CA12
SCHEMBL27446333 0.82 CA1 (0.43) CA1CA2HDAC1CA12CA9
SCHEMBL21431059 0.80 CA1 (0.49) CA1CA2HDAC1CA12GAA
SCHEMBL6223820 0.80 CA1 (0.49) CA1CA2HDAC1CA12GAA
SCHEMBL6223818 0.80 CA1 (0.49) CA1CA2HDAC1CA12GAA
SCHEMBL15125579 0.80 CA1 (0.47) CA1CA2GAAL3MBTL1
SCHEMBL19639251 0.80 HDAC1 (0.52) HDAC1BCHELMNA

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 6 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
US-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS LLC (US) 2022-06-07 US disclosed
US-20210299262-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC 2021-09-30 US disclosed
US-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC (US) 2021-08-03 US disclosed
US-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC 2019-10-17 US 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 (5 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 1756/4885HDAC1 2731/4885
US-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885HDAC1 2731/4885
US-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885HDAC1 2731/4885
US-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885HDAC1 2731/4885
US-20210299262-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885HDAC1 2731/4885

“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.