SCHEMBL616113

SCHEMBL616113

COc1nc([Si](C)(C)C)cc(I)c1C=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.31
ERN1 O75460 1/20 0.30

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
SCHEMBL615179 0.81 POLB (0.32) ERN1
SCHEMBL613905 0.81 ERN1 (0.31) ERN1
SCHEMBL10048729 0.81 CYP2C9 (0.36) MCL1ERN1
SCHEMBL614736 0.80 PRKDC (0.40) ERN1
SCHEMBL2579726 0.80 NFE2L2 (0.31) ERN1
SCHEMBL615593 0.78 ALDH1A1 (0.33) MCL1ERN1
SCHEMBL615268 0.78 PRKDC (0.31) ERN1
SCHEMBL3176525 0.75 SQOR (0.35)
SCHEMBL614127 0.70 PDE4A (0.31)
SCHEMBL6762127 0.70

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 39 patents — showing the first 20. 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-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 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-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP disclosed
US-6620937-B2 Annulation, cyclization UNIVERSITY OF PITTSBURGH 2003-09-16 US 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
EP-1269170-A1 REACTION AND SEPARATION METHODS UNIVERSITY OF PITTSBURGH (US) 2003-01-02 EP disclosed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 US disclosed
WO-2001061332-A1 REACTION AND SEPARATION METHODS UNIVERSITY OF PITTSBURGH (US) 2001-08-23 WO disclosed
US-6252079-B1 CYCLIZATION OF CHEMICAL INTERMEDIATE; REACTING WITH ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2001-06-26 US disclosed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 US disclosed
WO-1999001456-A1 SYNTHESIS OF AND INTERMEDIATES FOR CAMPTOTHECINS UNIVERSITY OF PITTSBURGH (US) 1999-01-14 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 (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-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 MCL1 70/4885ERN1 3713/4885
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY MCL1 1094/4885ERN1 1153/4885
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS MCL1 326/4885ERN1 1318/4885

“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.