SCHEMBL1201726

SCHEMBL1201726

COC(C)OCc1nc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 7/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
PDE11A Q9HCR9 2/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL4070142 0.85 KDM4E (0.40) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL1202813 0.79 MAPT (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1132463 0.79 ACKR3 (0.31)
SCHEMBL8360614 0.78 NPC1 (0.41) NPC1RAB9APDE4BTUBB4ATUBB
SCHEMBL29929108 0.78 NPC1 (0.40) NPC1RAB9APDE4BTUBB4ATUBB
SCHEMBL1201731 0.78 NPC1 (0.40) NPC1RAB9APDE4BTUBB4ATUBB
SCHEMBL1202213 0.76 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4451221 0.76 GABRP (0.58) NPC1RAB9APDE4BTUBB4ATUBB
SCHEMBL1201584 0.76
SCHEMBL28946311 0.75 SYK (0.39) NPC1RAB9APDE4BTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756059-B1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-07 EP disclosed
EP-1740524-B1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-12 EP disclosed
US-7893270-B2 Reacting 2,4,4-tribromobicyclo[3.2.1]oct-2-ene in chlorobenzene with acetonitrile and sulfuric acid to produce 4-bromo-bicyclo[3.2.1]oct-3-en-2-one SYNGENTA CROP PROTECTION, INC. (US) 2011-02-22 US disclosed
US-7501544-B2 Process for the production of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2009-03-10 US disclosed
US-20080139816-A1 Process For the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2008-06-12 US disclosed
US-20070232837-A1 Process for the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2007-10-04 US disclosed
EP-1756059-A1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES Syngeta Participations AG (CH) 2007-02-28 EP disclosed
EP-1740524-A2 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES Syngeta Participations AG (CH) 2007-01-10 EP disclosed
WO-2005105718-A2 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2005-11-10 WO disclosed
WO-2005105745-A1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2005-11-10 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 (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-20070232837-A1 Process for the Production of Cyclic Diketones CA9, ACAD9, F9 NPC1 2126/4885RAB9A 437/4885PDE4B 2805/4885
US-20080139816-A1 Process For the Production of Cyclic Diketones BCKDK, KCNJ1, KCNJ11 NPC1 2165/4885RAB9A 3134/4885PDE4B 2537/4885

“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.