SCHEMBL614127

SCHEMBL614127

COc1nc([Si](C)(C)C)cc(I)c1CO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL10048730 0.79 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL6762123 0.78
SCHEMBL3176525 0.75 SQOR (0.35)
SCHEMBL6762127 0.70
SCHEMBL616113 0.70 MCL1 (0.31)
SCHEMBL6623394 0.68 SLC13A5 (0.33)
SCHEMBL10048739 0.67 ALDH1A1 (0.31)
SCHEMBL4402294 0.67 AURKA (0.33)
SCHEMBL31437498 0.67 AURKA (0.33)
SCHEMBL18556092 0.65 OPRM1 (0.41) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP disclosed
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP disclosed
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 US disclosed
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 US disclosed
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 US disclosed
US-7126000-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-10-24 US disclosed
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2004-06-03 US disclosed
US-6723853-B2 ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH 2004-04-20 US disclosed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP disclosed
US-20030073840-A1 Intermediates and methods of preparation of intermediates in the enantiomeric synthesis of (20R)homocamptothecins and the enantiomeric synthesis of (20R)homocamptothecins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-17 US disclosed
WO-2003018559-A2 INTERMEDIATES AND PREPARATION THEREOF FOR THE ENANTIOSELECTIVE SYNTHESIS OF (20R) HOMOCAMPTOTHECINS UNIVERSITY OF PITTSBURGH (US) 2003-03-06 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 (5 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-20030073840-A1 Intermediates and methods of preparation of intermediates in the enantiomeric synthesis of (20R)homocamptothecins and the enantiomeric synthesis of (20R)homocamptothecins FOLR1, POR, FOLR2 PDE4A 4633/4885PDE4B 4172/4885PDE4C 4292/4885
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY PDE4A 1719/4885PDE4B 1413/4885PDE4C 1600/4885
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A PDE4A 806/4885PDE4B 453/4885PDE4C 735/4885
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A PDE4A 788/4885PDE4B 417/4885PDE4C 669/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY PDE4A 1719/4885PDE4B 1413/4885PDE4C 1600/4885

“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.