SCHEMBL5998798

SCHEMBL5998798

COC(=O)/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)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 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
PPARA Q07869 1/20 0.32
BTN3A1 O00481 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 2/20 0.31
HTT P42858 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
GHSR Q92847 2/20 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
SCHEMBL5998807 1.00 MME (0.33) MMEPPARABTN3A1KMT2ACTSL
SCHEMBL5999105 0.90 MME (0.32) MMEPPARABTN3A1CTSLGHSR
SCHEMBL5999102 0.90 MME (0.32) MMEPPARABTN3A1CTSLGHSR
SCHEMBL6858198 0.90 MME (0.32) MMEPPARABTN3A1CTSLGHSR
SCHEMBL6858195 0.90 MME (0.32) MMEPPARABTN3A1CTSLGHSR
SCHEMBL5997770 0.87 KMT2A (0.33) MMEBTN3A1KMT2AHTT
SCHEMBL5997778 0.87 KMT2A (0.33) MMEBTN3A1KMT2AHTT
SCHEMBL5999132 0.85 KMT2A (0.33) BTN3A1KMT2AHTT
SCHEMBL5999125 0.85 KMT2A (0.33) BTN3A1KMT2AHTT
SCHEMBL14533022 0.81

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 MME 2384/4885PPARA 1242/4885BTN3A1 3101/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK MME 3265/4885PPARA 1116/4885BTN3A1 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.