SCHEMBL1374728

SCHEMBL1374728

CC(C)(c1ccc(Oc2cccc(C#N)c2C#N)cc1)c1ccc(Oc2cccc(C#N)c2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 10/20 0.38
EZH2 Q15910 1/20 0.38
MAPK14 Q16539 1/20 0.38
TLR8 Q9NR97 2/20 0.37
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL28587818 0.93 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL7121279 0.92 POLB (0.51) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL29800655 0.92 POLB (0.51) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL12960291 0.86 AR (0.42) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL1854865 0.84 ALDH1A1 (0.51) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL12890393 0.84 ESR1 (0.47) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL12960258 0.84 TLR8 (0.53) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9745713 0.84 KDM4E (0.49) SMN1; SMN2KDM4EPOLBGAAAR
SCHEMBL8975487 0.83 POLB (0.73) SMN1; SMN2KDM4EPOLBGAAALDH1A1
Hydrochloric Acid SCHEMBL8464515 0.82 ALDH1A1 (0.50) SMN1; SMN2KDM4EPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452959-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-11-18 US claimed
EP-1507816-A4 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF US GOV SEC NAVY (US) 2006-05-31 EP claimed
EP-1507816-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 2005-02-23 EP claimed
US-20040181029-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2004-09-16 US claimed
US-20040181027-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US claimed
US-20040181028-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US claimed
US-20030229198-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2003-12-11 US claimed
WO-2003091312-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRSENTED BY THE SECRETARY OF THE NAVY (US) 2003-11-06 WO claimed
US-8530607-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-09-10 US disclosed
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-24 US disclosed
US-20110263775-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-27 US disclosed
US-8039576-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-18 US disclosed
US-7511113-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-31 US disclosed
US-20090069484-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-12 US disclosed
US-20040181029-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2004-09-16 US disclosed
US-20040181027-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US disclosed
US-20040181028-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US disclosed
US-6756470-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-06-29 US disclosed
US-20030229198-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2003-12-11 US disclosed
WO-2003091312-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRSENTED BY THE SECRETARY OF THE NAVY (US) 2003-11-06 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 (1 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-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES PNN, BECN1, ACIN1 SMN1; SMN2 1799/4885KDM4E 675/4885POLB 1873/4885

“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.