SCHEMBL243748

SCHEMBL243748

O=C([O-])c1nc2ccccc2cc1O.O=C([O-])c1nc2ccccc2cc1O.O=C([O-])c1nc2ccccc2cc1O.[Al+3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 2/20 0.50
STAT3 P40763 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 2/20 0.41
IKBKB O14920 1/20 0.41
RXFP1 Q9HBX9 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MGAM O43451 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37

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
SCHEMBL1764824 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780478 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780492 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780487 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL5838768 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
Lithium Ion SCHEMBL2146458 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL6196574 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
Zinc Ion SCHEMBL10395382 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL60874 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL2975427 0.80 KDM4E (0.56) ALDH1A1KDM4EHPGDGAASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10994469-B2 Dendrimer laser THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2021-05-04 US disclosed
US-10538698-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2020-01-21 US disclosed
EP-2294160-B1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-10-17 EP disclosed
US-20180205202-A1 DENDRIMER LASER OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-07-19 US disclosed
US-9740074-B2 Electrochromic mirrors and other electrooptic devices AJJER LLC (US) 2017-08-22 US disclosed
US-9627632-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-9481826-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2016-11-01 US disclosed
US-20160282695-A1 Electrochromic Mirrors and other Electrooptic Devices AGRAWAL ANOOP (US) 2016-09-29 US disclosed
EP-1897191-B1 Method of fabricating an LED having a patterned dendrimer-containing film UNIV ST ANDREWS (GB) 2016-03-16 EP disclosed
US-20160024119-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES UDC IRELAND LIMITED (IE) 2016-01-28 US disclosed
US-20080074724-A1 Electrochromic Mirrors and other Electrooptic Devices AJJER, LLC 2008-03-27 US disclosed
EP-1897191-A1 DENDRIMER LASER The University Court of the University of St. Andrews (GB) 2008-03-12 EP disclosed
US-7300166-B2 Electrochromic mirrors and other electrooptic devices ELECTROCHROMIX, INC. (US) 2007-11-27 US disclosed
WO-2006129107-A1 DENDRIMER LASER THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2006-12-07 WO disclosed
US-20060138656-A1 Electrode for an electronic device OSRAM OPTO SEMICONDUCTS GMBH 2006-06-29 US disclosed
EP-1608719-A2 ELECTROCHROMIC MIRRORS AND OTHER ELECTROOPTIC DEVICES Electrochromix, Inc (US) 2005-12-28 EP disclosed
US-6946319-B2 Electrode for an electronic device OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2005-09-20 US disclosed
US-20040241972-A1 ELECTRODE FOR AN ELECTRONIC DEVICE OSRAM OPTO SEMICONDUCTORS GMBH 2004-12-02 US disclosed
US-20040233537-A1 Electrochromic mirrors and other electrooptic devices AJJER, LLC 2004-11-25 US disclosed
WO-2004085567-A2 ELECTROCHROMIC MIRRORS AND OTHER ELECTROOPTIC DEVICES ELECTROCHROMIX, INC (US) 2004-10-07 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-10538698-B2 Electronic device comprising metal complexes OCIAD1, OCIAD2, OSTC ALDH1A1 1475/4885KDM4E 3315/4885HPGD 780/4885
US-20160024119-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, SOD1 ALDH1A1 1181/4885KDM4E 3358/4885HPGD 2678/4885

“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.