SCHEMBL5513003

SCHEMBL5513003

CCc1nc(C)nc(C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
CNR2 P34972 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL5506773 0.82 NPSR1 (0.48) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL5511141 0.79 NPSR1 (0.41) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL17384436 0.76 ALDH1A1 (0.41) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL5521948 0.76 KDM4E (0.56) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4168423 0.76 ADORA3 (0.49) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL5507930 0.74 LMNA (0.37) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9458280 0.71 ALDH1A1 (0.41) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL10073316 0.71 PDE4D (0.55) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL12490032 0.70 ADORA3 (0.47) NPSR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4168427 0.70 KMT2A (0.49) NPSR1KMT2AKDM4EMEN1ALDH1A1

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 6 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
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 NPSR1 2330/4885KMT2A 1940/4885KDM4E 1085/4885

“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.