SCHEMBL6807121

SCHEMBL6807121

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
APLNR P35414 1/20 0.36
TBXAS1 P24557 8/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
TSHR P16473 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
APP P05067 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
SCHEMBL7190400 1.00 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6807118 1.00 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7190403 1.00 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7190398 1.00 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL14619682 0.92 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6810812 0.87 CA1 (0.38) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6810807 0.87 CA1 (0.38) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7198525 0.87 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7198518 0.87 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7096896 0.87 CA1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides SANTI DANIEL (US) 2004-01-29 US disclosed
US-20020052028-A1 Bio-intermediates for use in the chemical synthesis of polyketides KOSAN BIOSCIENCES, INC. 2002-05-02 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-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides DHPS, FDFT1, COASY CA1 4802/4885CA2 4856/4885APLNR 2576/4885

“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.