SCHEMBL1750404

SCHEMBL1750404

C=C[C@@H](C)[C@H](O)C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.35
TBXAS1 P24557 8/20 0.34
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1749914 0.89 TBXAS1 (0.34) TBXAS1FFAR1POLBL3MBTL1
SCHEMBL1750446 0.82 TBXAS1 (0.34) TBXAS1
SCHEMBL1088174 0.81 TBXAS1 (0.39) CASRTBXAS1FFAR1L3MBTL1
SCHEMBL12047346 0.81 TBXAS1 (0.37) CASRTBXAS1CA1CA2
SCHEMBL1750989 0.81 TBXAS1 (0.37) CASRTBXAS1CA1CA2
SCHEMBL1749912 0.80 TBXAS1 (0.33) CASRTBXAS1
SCHEMBL1749911 0.80 TBXAS1 (0.33) CASRTBXAS1
SCHEMBL1088179 0.80 TBXAS1 (0.38) CASRTBXAS1L3MBTL1
SCHEMBL12047351 0.80 CASR (0.36) CASRTBXAS1POLBCA1CA2
SCHEMBL1751007 0.80 TBXAS1 (0.36) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968736-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof University of Pittsburgh—of the Commonwelth Systems of Higher Education (US) 2011-06-28 US disclosed
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER 2009-02-05 US disclosed
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-11-30 US disclosed
US-7122686-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-10-17 US disclosed
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-23 US disclosed
WO-2004022552-A1 ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2004-03-18 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 (3 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-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF RRS1, RPS3A, RPS3 CASR 1616/4885TBXAS1 1252/4885FFAR1 939/4885
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof RRS1, RPS6KA3, RPS6KA4 CASR 1772/4885TBXAS1 1173/4885FFAR1 715/4885
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof DECR1, RRS1, WEE1 CASR 3345/4885TBXAS1 641/4885FFAR1 795/4885

“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.