SCHEMBL1247588

SCHEMBL1247588

C[C@@H]1CCC[C@@]2(C)CC[C@H]3[C@H](C)CC(O)[C@@H](C[C@H]12)C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.38
AKR1B10 O60218 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL11671840 0.76 NR1I3 (0.50) NR1I3AKR1B10CDK5CDK5R1
SCHEMBL11672190 0.76 NR1I3 (0.50) NR1I3AKR1B10CDK5CDK5R1
SCHEMBL11673103 0.76 NR1I3 (0.50) NR1I3AKR1B10CDK5CDK5R1
SCHEMBL11671836 0.76 NR1I3 (0.50) NR1I3AKR1B10CDK5CDK5R1
SCHEMBL11672814 0.76 NR1I3 (0.50) NR1I3AKR1B10CDK5CDK5R1
SCHEMBL6377763 0.76 NR1I3 (0.39) NR1I3AKR1B10CDK5CDK5R1GRIN1
SCHEMBL3825 0.76 CDK5 (0.40) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL901326 0.76 CDK5 (0.40) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL332530 0.76 CDK5 (0.40) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL1480601 0.75 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298754-B9 Preparation of taxane derivatives INDENA SPA (IT) 2013-12-18 EP disclosed
EP-2298754-B1 Preparation of taxane derivatives INDENA SPA (IT) 2013-08-07 EP disclosed
EP-2264019-B1 Intermediates for the preparation of taxane derivatives INDENA SPA (IT) 2013-07-24 EP disclosed
EP-2077264-B1 Taxane derivatives and a process for the preparation thereof INDENA SPA (IT) 2012-11-14 EP disclosed
EP-2298754-A1 Preparation of taxane derivatives Indena S.p.A. (IT) 2011-03-23 EP disclosed
EP-2281820-A2 Taxane derivatives and a process for the preparation thereof Indena S.p.A. (IT) 2011-02-09 EP disclosed
EP-2264019-A1 Intermediates fot the preparation of taxane derivatives Indena S.p.A. (IT) 2010-12-22 EP disclosed
EP-2077264-A2 Taxane derivatives and a process for the preparation thereof INDENA S.p.A. (IT) 2009-07-08 EP disclosed
US-7498452-B2 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof INDENA S.P.A. (IT) 2009-03-03 US disclosed
EP-1980557-A2 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof Indena S.P.A. (IT) 2008-10-15 EP disclosed
EP-1537093-B1 TAXANE DERIVATIVES FUNCTIONALIZED AT THE 14- POSITION AND A PROCESS FOR THE PREPARATION THEREOF INDENA SPA (IT) 2008-06-11 EP disclosed
US-20060122258-A1 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof INDENA S.P.A. (IT) 2006-06-08 US disclosed
EP-1537093-A2 TAXANE DERIVATIVES FUNCTIONALIZED AT THE 14- POSITION AND A PROCESS FOR THE PREPARATION THEREOF INDENA S.p.A. (IT) 2005-06-08 EP disclosed
WO-2004024706-A2 TAXANE DERIVATIVES FUNCTIONALIZED AT THE 14- POSITION AND A PROCESS FOR THE PREPARATION THEREOF INDENA S.P.A. (IT) 2004-03-25 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 (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-20060122258-A1 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof TUBA1B, TUBB2B, TUBB3 NR1I3 2851/4885AKR1B10 52/4885CDK5 1269/4885

“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.