Ether

Ether

SCHEMBL1376906

CCOCC.N#Cc1ccccc1C#N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GAA P10253 4/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NLRP3 Q96P20 1/20 0.41
POLB P06746 1/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
Ether SCHEMBL19410620 1.00 TSHR (0.50) TSHRGAAALDH1A1L3MBTL1NLRP3
Phenol SCHEMBL19411862 0.88 ESR2 (0.46) TSHRGAAALDH1A1L3MBTL1NLRP3
Resorcinol SCHEMBL19410619 0.85 ALDH1A1 (0.41) TSHRGAAALDH1A1L3MBTL1NLRP3
Ether SCHEMBL3178710 0.82 ESR2 (0.53) TSHRGAAALDH1A1L3MBTL1MAOB
Alcohol SCHEMBL7573294 0.80 TSHR (0.54) TSHRGAAALDH1A1L3MBTL1NLRP3
Benzonitrile SCHEMBL2493083 0.79 TSHR (0.64) TSHRGAAALDH1A1L3MBTL1MAOB
SCHEMBL2818597 0.79 TSHR (0.63) TSHRGAAALDH1A1POLBIMPDH2
SCHEMBL57480 0.79 TSHR (0.63) TSHRGAAALDH1A1POLBIMPDH2
Water SCHEMBL19410621 0.79 TSHR (0.63) TSHRGAAALDH1A1POLBIMPDH2
SCHEMBL29352197 0.79 TSHR (0.63) TSHRGAAALDH1A1POLBIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100926-B1 Nanosized particles of phthalocyanine pigments XEROX CORP (US) 2017-04-12 EP disclosed
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-8168359-B2 Nanosized particles of phthalocyanine pigments XEROX CORPORATION (US) 2012-05-01 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-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
EP-2100926-A2 Nanosized particles of phthalocyanine pigments Xerox Corporation (US) 2009-09-16 EP disclosed
US-20090226835-A1 NANOSIZED PARTICLES OF PHTHALOCYANINE PIGMENTS XEROX CORPORATION (US) 2009-09-10 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

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 TSHR 4875/4885GAA 3875/4885ALDH1A1 1956/4885

“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.