SCHEMBL721359

SCHEMBL721359

c1ccc(Cc2cccc[n+]2-c2cccc[n+]2Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CALM1 P0DP23 1/20 0.35
ACHE P22303 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 3/20 0.31
CA1 P00915 1/20 0.31

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
Hydrochloric Acid SCHEMBL11725090 0.80 KDM4E (0.45) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL14740720 0.74 CALM1 (0.44) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL7111181 0.74 HDAC8 (0.40) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7005196 0.73 KDM4E (0.49) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL11215457 0.73 ALDH1A1 (0.45) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL17130344 0.69 TP53 (0.44) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL11692702 0.68 TP53 (0.48) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL10730872 0.67 TDP1 (0.48) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL12558271 0.67 CYP2D6 (0.46) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL17968399 0.66 KDM4E (0.38) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751577-B1 A method of manufacturing a sterilized optical analyte sensor MEDTRONIC MINIMED INC (US) 2019-04-17 EP disclosed
EP-2989975-B1 OPTICAL SYSTEMS AND METHODS FOR RATIONMETRIC MEASUREMENT OF BLOOD GLUCOSE CONCENTRATION MEDTRONIC MINIMED INC (US) 2018-06-13 EP disclosed
US-9839378-B2 Optical systems and methods for ratiometric measurement of blood glucose concentration MEDTRONIC MINIMED, INC. (US) 2017-12-12 US disclosed
US-9757057-B2 Dry insertion and one-point in vivo calibration of an optical analyte sensor MEDTRONIC MINIMED, INC. (US) 2017-09-12 US disclosed
US-9693720-B2 Equilibrium non-consuming fluorescence sensor for real time intravascular glucose measurement MEDTRONIC MINIMED, INC. (US) 2017-07-04 US disclosed
EP-2769226-B1 COMBINATIONS OF FLUORPHORES AND PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2017-05-24 EP disclosed
EP-2534470-B1 ANTIOXIDANT PROTECTION OF A CHEMICAL SENSOR MEDTRONIC MINIMED INC (US) 2016-08-10 EP disclosed
EP-2989975-A1 OPTICAL SYSTEMS AND METHODS FOR RATIONMETRIC MEASUREMENT OF BLOOD GLUCOSE CONCENTRATION Medtronic MiniMed, Inc. (US) 2016-03-02 EP disclosed
EP-2916722-A1 DRY INSERTION AND ONE-POINT IN VIVO CALIBRATION OF AN OPTICAL ANALYTE SENSOR Medtronic MiniMed, Inc. (US) 2015-09-16 EP disclosed
EP-2222686-B1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2015-06-17 EP disclosed
WO-2008097747-A1 OPTICAL DETERMINATION OF PH AND GLUCOSE GLUMETRICS, INC. (US) 2008-08-14 WO disclosed
US-20080188725-A1 OPTICAL SYSTEMS AND METHODS FOR RATIOMETRIC MEASUREMENT OF BLOOD GLUCOSE CONCENTRATION MEDTRONIC MINIMED, INC. 2008-08-07 US disclosed
US-20080188722-A1 OPTICAL DETERMINATION OF PH AND GLUCOSE MEDTRONIC MINIMED, INC. 2008-08-07 US disclosed
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 US disclosed
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-02-12 US disclosed
US-6627177-B2 Obtaining flurorophore dye which is compatible with the analyte solution; combining withboronic acid-containing quencher molecule; contacting with excitation light source coupled with a detector; producing signal; quantification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-30 US disclosed
EP-1340076-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS The Regents of the University of California (US) 2003-09-03 EP disclosed
WO-2002046752-A9 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS UNIV CALIFORNIA (US) 2002-08-29 WO disclosed
US-20020106326-A1 Polyhydroxyl-substituted organic molecule sensing optical in vivo method utilizing a boronic acid adduct and the device thereof CALIFORNIA, UNIVERSITY OF THE REGENTS OF THE 2002-08-08 US disclosed
WO-2002046752-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-13 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 (2 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-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, BLVRB, FOSB CYP2D6 731/4885CYP2C19 2561/4885KDM4E 2992/4885
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, FOSB, BLVRB CYP2D6 774/4885CYP2C19 2529/4885KDM4E 2991/4885

“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.