SCHEMBL5507930

SCHEMBL5507930

CCc1ncnc(C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HCRTR1 O43613 1/20 0.35
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 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
SCHEMBL3321442 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL8596687 0.81 CA12 (0.35) LMNACA12CA1CA2CA7
SCHEMBL5512934 0.80 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13531270 0.77 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL16712807 0.75 ALDH1A1 (0.44) LMNACA12CA1CA2CA7
SCHEMBL15155242 0.75 CA12 (0.38) LMNACA12CA1CA2CA7
SCHEMBL31368632 0.75 CA12 (0.38) LMNACA12CA1CA2CA7
SCHEMBL5513003 0.74 NPSR1 (0.41) LMNAMEN1KMT2AKDM4ECNR2
SCHEMBL25652148 0.72 CA12 (0.40) LMNACA12CA1CA2CA7
SCHEMBL25652167 0.72 CA12 (0.40) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 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-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 LMNA 3977/4885CA12 4330/4885CA1 3553/4885

“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.