SCHEMBL39286

SCHEMBL39286

OBOc1ccccc1C[n+]1c2ccccc2[n+](Cc2ccccc2B(O)O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.38
ENPP2 Q13822 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL39284 0.91 LIPE (0.34) LIPEENPP2LIPG
SCHEMBL12201294 0.83 LIPG (0.47) LIPEENPP2LIPGORAI1ORAI2
SCHEMBL39289 0.78 ATM (0.39) BCHEACHE
SCHEMBL14601222 0.78 LIPG (0.36) ENPP2LIPG
SCHEMBL12201301 0.73 ATM (0.50) ENPP2LIPGBCHEACHE
SCHEMBL12201290 0.73 LIPG (0.41) ENPP2LIPGBCHEACHE
SCHEMBL14601221 0.70 LIPG (0.32) LIPG
SCHEMBL13600367 0.69 CYP1A2 (0.37) LIPEENPP2LIPGBCHEACHE
SCHEMBL11959677 0.66 APOBEC3G (0.40)
SCHEMBL19422741 0.66 ACHE (0.67) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906701-B2 Sonication-assisted metal-enhanced fluorescence (SAMEF)-based bioassays UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-12-09 US disclosed
US-8886464-B2 Microwave-accelerated metal-enhanced detection method UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-11-11 US disclosed
US-8759110-B2 Metal enhanced fluorescence-based sensing methods UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-06-24 US disclosed
US-8679402-B2 Microwave accelerated assays UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-03-25 US disclosed
US-8569502-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids Geddes, Chris (US) 2013-10-29 US disclosed
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2013-08-15 US disclosed
US-20130102770-A9 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS GEDDES CHRIS D (US) 2013-04-25 US disclosed
US-20130084628-A1 MICROWAVE ACCELERATED ASSAYS GEDDES CHRIS D (US) 2013-04-04 US disclosed
US-8338602-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-12-25 US disclosed
US-8318087-B2 Microwave accelerated assays UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-11-27 US disclosed
US-20120107952-A1 MICROWAVE-ACCELERATED PLASMONICS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2012-05-03 US disclosed
US-20120091349-A1 PLASMONIC ELECTRICITY GEDDES CHRIS D (US) 2012-04-19 US disclosed
US-20120028849-A1 MICROWAVE ACCELERATED ASSAYS GEDDES CHRIS D (US) 2012-02-02 US disclosed
US-20110294997-A1 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS GEDDES CHRIS D (US) 2011-12-01 US disclosed
US-20110207236-A1 SONICATION-ASSISTED METAL-ENHANCED FLUORESCENCE (SAMEF)-BASED BIOASSAYS GEDDES CHRIS D 2011-08-25 US disclosed
US-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2010-11-25 US 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 (4 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-20110294997-A1 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS FABP1, ALB, MB LIPE 3376/4885ENPP2 4816/4885LIPG 3270/4885
US-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 LIPE 547/4885ENPP2 3249/4885LIPG 1521/4885
US-20130102770-A9 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS FABP1, ALB, MB LIPE 3376/4885ENPP2 4816/4885LIPG 3270/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 LIPE 531/4885ENPP2 2619/4885LIPG 1713/4885

“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.