SCHEMBL4312926

SCHEMBL4312926

CCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 1.00
MAPT P10636 3/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
P2RY12 Q9H244 2/20 0.62
ALDH1A1 P00352 2/20 0.57
PDE4B Q07343 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
CASP3 P42574 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
SLC34A1 Q06495 1/20 0.53

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
SCHEMBL6070059 0.87 PDE4D (0.80) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL6070321 0.87 PDE4D (0.77) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL20553225 0.87 PDE4D (0.77) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL16989389 0.86 PDE4D (0.78) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL6070731 0.86 PDE4D (0.74) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL2201823 0.86 PDE4D (0.75) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL8341970 0.85 P2RY12 (0.82) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL4314951 0.85 PDE4D (1.00) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL6052477 0.85 PDE4D (0.76) PDE4DMAPTRAB9ANPC1P2RY12
SCHEMBL6070076 0.85 PDE4D (0.76) PDE4DMAPTRAB9ANPC1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed