SCHEMBL5997770

SCHEMBL5997770

C/C(=C/[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@@H](C)COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
CA1 P00915 3/20 0.32
BTN3A1 O00481 1/20 0.31
MME P08473 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL5997778 1.00 KMT2A (0.33) KMT2ACA1BTN3A1MMECA2
SCHEMBL5999132 0.90 KMT2A (0.33) KMT2ACA1BTN3A1CA2CA7
SCHEMBL5999125 0.90 KMT2A (0.33) KMT2ACA1BTN3A1CA2CA7
SCHEMBL5998798 0.87 MME (0.33) KMT2ABTN3A1MMEHTT
SCHEMBL5998807 0.87 MME (0.33) KMT2ABTN3A1MMEHTT
SCHEMBL7530664 0.81 CA1 (0.37) KMT2ACA1CA2CA7CA9
SCHEMBL5998889 0.79 MME (0.30) MME
SCHEMBL5998894 0.79 MME (0.30) MME
SCHEMBL5997817 0.78 MAPT (0.35) KMT2ACA1CA2
SCHEMBL5997820 0.78 MAPT (0.35) KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148218-B2 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2006-12-12 US disclosed
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors KINDER FREDERICK R (US) 2005-04-14 US disclosed
US-6833367-B2 A polyhydroxy-polymethyl-8-tridecenoic acid 8-lactone compounds, as antitumor agents, anticarcinogenic agents NOVARTIS AC (CH) 2004-12-21 US disclosed
US-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2003-08-14 US disclosed
EP-1312608-A2 Discodermolide analogues and their pharmaceutical use Novartis AG (CH) 2003-05-21 EP 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 (2 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-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors PBK, BCKDK, ETV6 KMT2A 1083/4885CA1 3468/4885BTN3A1 3101/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK KMT2A 1246/4885CA1 3636/4885BTN3A1 3751/4885

“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.