SCHEMBL18605902

SCHEMBL18605902

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NFKB1 P19838 3/20 0.37
▸ NFKB2 Q00653 3/20 0.37
▸ RELA Q04206 3/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ BTK Q06187 2/20 0.33
▸ F2R P25116 1/20 0.32

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
SCHEMBL18581645 0.89 BACE1 (0.30) KDM1AMAOB
SCHEMBL18581937 0.84 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL18603320 0.83 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL22406217 0.82 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL18606894 0.82 KDM1A (0.40) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL2940110 0.81 BTK (0.46) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL2940111 0.81 BTK (0.46) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL13379243 0.81 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1NFKB1
SCHEMBL2941844 0.81 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL2941841 0.81 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1EPHX2

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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 — — 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 KDM1A 4123/4885MAOB 1475/4885KMT2A 3044/4885

“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.

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