SCHEMBL5997017

SCHEMBL5997017

COc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
APLNR P35414 1/20 0.39
TBXAS1 P24557 9/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL7096896 1.00 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7198518 0.89 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7198525 0.89 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7530664 0.88 CA1 (0.37) CA1CA2TSHR
SCHEMBL14619682 0.88 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6807121 0.87 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7190403 0.87 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6807118 0.87 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7190398 0.87 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6810807 0.87 CA1 (0.38) CA1CA2APLNRTBXAS1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030503-B2 Process for the preparation of epothilones KOSAN BIOSCIENCES INCORPORATED (US) 2011-10-04 US disclosed
US-20080319211-A1 PROCESS FOR THE PREPARATION OF EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2008-12-25 US disclosed
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-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides SANTI DANIEL (US) 2004-01-29 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
EP-1307579-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES Kosan Biosciences, Inc. (US) 2003-05-07 EP disclosed
US-20020052028-A1 Bio-intermediates for use in the chemical synthesis of polyketides KOSAN BIOSCIENCES, INC. 2002-05-02 US disclosed
WO-2002012534-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES KOSAN BIOSCIENCES, INC. (US) 2002-02-14 WO 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 (4 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 CA1 3468/4885CA2 3541/4885APLNR 2647/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK CA1 3636/4885CA2 3160/4885APLNR 2030/4885
US-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides DHPS, FDFT1, COASY CA1 4802/4885CA2 4856/4885APLNR 2576/4885
US-20080319211-A1 PROCESS FOR THE PREPARATION OF EPOTHILONES DHPS, EPOR, PPOX CA1 4488/4885CA2 4855/4885APLNR 2482/4885

“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.