SCHEMBL4847585

SCHEMBL4847585

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
APLNR P35414 1/20 0.36
TBXAS1 P24557 10/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CASR P41180 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4848914 0.91 CA1 (0.44) CA1CA2APLNRTBXAS1IDO1
SCHEMBL4845250 0.85 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL5815285 0.82 CA1 (0.40) CA1CA2APLNRTBXAS1IDO1
SCHEMBL4380653 0.82 CA1 (0.39) CA1CA2TBXAS1
SCHEMBL14619682 0.81 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL7199332 0.81 CA1 (0.41) CA1CA2APLNRTBXAS1HDAC4
SCHEMBL7198249 0.81 CA1 (0.41) CA1CA2APLNRTBXAS1HDAC4
SCHEMBL3953584 0.81 TBXAS1 (0.43) CA1CA2APLNRTBXAS1HDAC4
SCHEMBL7190400 0.80 CA1 (0.41) CA1CA2APLNRTBXAS1IDO1
SCHEMBL6807121 0.80 CA1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188651-A1 Analogs of dictyostatin, intermediates therefor and methods of systhesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-07 US disclosed
US-7321046-B2 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2008-01-22 US disclosed
US-20060025395-A1 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-02-02 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 (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-20080188651-A1 Analogs of dictyostatin, intermediates therefor and methods of systhesis thereof RPS14, RPL41, DHCR7 CA1 3105/4885CA2 3680/4885APLNR 1408/4885
US-20060025395-A1 Analogs of dictyostatin, intermediates therefor and methods of synthesis thereof DCXR, DHCR7, RRM2B CA1 3716/4885CA2 4303/4885APLNR 1704/4885

“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.