Ether

Ether

SCHEMBL2944905

CCOCC.SCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8735572 0.85 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL8735119 0.83 CYP3A4 (0.39) CYP3A4TDP1
Water SCHEMBL2944908 0.83 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL9550556 0.80 KDM4E (0.37) CYP3A4TDP1LTA4HALDH1A1
Ether SCHEMBL1679520 0.74 CYP3A4 (0.60) CYP3A4TDP1LTA4HALDH1A1
Ether SCHEMBL17061168 0.73 CYP3A4 (0.57) CYP3A4TDP1LTA4HALDH1A1
SCHEMBL163845 0.72 TDP1 (0.41) CYP3A4TDP1ALDH1A1
SCHEMBL3680019 0.71 HDAC3 (0.42) CYP3A4TDP1
Ether SCHEMBL28150517 0.71 CYP3A4 (0.36) CYP3A4TDP1LTA4HALDH1A1
SCHEMBL27456597 0.71 CYP3A4 (0.36) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754907-B2 Allosterically catalyzed signal amplification in chemical and biological sensing NORTHWESTERN UNIVERSITY (US) 2010-07-13 US claimed
US-20080213916-A1 Allosterically Catalyzed Signal Amplification in Chemical and Biological Sensing NORTHWESTERN UNIVERSITY (US) 2008-09-04 US claimed
WO-2007018549-A9 ALLOSTERICALLY CATALYZED SIGNAL AMPLIFICATION IN CHEMICAL AND BIOLOGICAL SENSING UNIV NORTHWESTERN (US) 2007-05-03 WO claimed
WO-2007018549-A2 ALLOSTERICALLY CATALYZED SIGNAL AMPLIFICATION IN CHEMICAL AND BIOLOGICAL SENSING NORTHWESTERN UNIVERSITY (US) 2007-02-15 WO claimed

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-20080213916-A1 Allosterically Catalyzed Signal Amplification in Chemical and Biological Sensing CASR, MAVS, STAT3 CYP3A4 1537/4885TDP1 2549/4885LTA4H 2003/4885

“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.