SCHEMBL5457924

SCHEMBL5457924

CC(C)(C)OC(=O)COc1cc(CN)cc(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
PTPN1 P18031 3/20 0.40
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 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
SCHEMBL11983291 0.94 MAPT (0.41) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL5448434 0.85 MAPT (0.43) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL5046686 0.85 PPARA (0.46) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL6225351 0.84 PTPN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5456951 0.84 PTPN1 (0.43) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL6956109 0.81 PTPN1 (0.43) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL9971599 0.80 MAPT (0.42) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL14720986 0.80 MAPT (0.43) MAPTPOLBHPGDLMNACYP2C9
SCHEMBL27377664 0.80 KDM4E (0.35) MAPTPOLBLMNANR1H2KDM4E
SCHEMBL9971603 0.79 MAPT (0.41) MAPTPOLBHPGDLMNACYP2C9

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
US-8557989-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-10-15 US disclosed
US-20130213822-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-08-22 US disclosed
US-8293904-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-23 US disclosed
US-8288544-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-16 US disclosed
US-8288544-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-16 US disclosed
EP-1646637-B1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS GMBH (DE) 2012-08-15 EP disclosed
EP-1646637-B1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS GMBH (DE) 2012-08-15 EP disclosed
EP-2465862-A1 Mononuclear osmium complexes for use in biosensors Roche Diagniostics GmbH (DE) 2012-06-20 EP disclosed
EP-2465862-A1 Mononuclear osmium complexes for use in biosensors Roche Diagniostics GmbH (DE) 2012-06-20 EP disclosed
US-20120125788-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS OPERATIONS, INC. 2012-05-24 US disclosed
US-20070054317-A1 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. 2007-03-08 US disclosed
US-20070054317-A1 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. 2007-03-08 US disclosed
EP-1646637-A2 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS Roche Diagnostics GmbH (DE) 2006-04-19 EP disclosed
WO-2005026178-A2 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS GMBH (DE) 2005-03-24 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 (3 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-20070054317-A1 Electrochemical affinity biosensor system and methods SIGLEC7, FCGR3B, FCER2 MAPT 4051/4885POLB 2853/4885HPGD 3819/4885
US-20130213822-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 MAPT 4051/4885POLB 2853/4885HPGD 3819/4885
US-20120125788-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 MAPT 4051/4885POLB 2853/4885HPGD 3819/4885

“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.