Ether

Ether

SCHEMBL4876152

CC(=O)OC(C)O.CCOCC

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
TRPV1 Q8NER1 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL132424 0.84
Ether SCHEMBL2146705 0.83 TSHR (0.70) TSHRALDH1A1LMNAHSD17B10CHRM2
Ethylamine SCHEMBL8850204 0.83 TSHR (0.48) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL28930565 0.82
Ammonia Solution, Strong SCHEMBL16209179 0.82
Ethylene Glycol SCHEMBL9478931 0.80 TSHR (0.50) TSHRALDH1A1LMNAHSD17B10CHRM2
Acetic Acid SCHEMBL2593860 0.79 TSHR (0.55) TSHRALDH1A1LMNACHRM2CHRM4
Methylamine SCHEMBL9247975 0.79
Ether SCHEMBL9806062 0.79 ALDH1A1 (0.44) TSHRALDH1A1LMNAHSD17B10TDP1
Ether SCHEMBL28937460 0.79 THRB (0.50) TSHRALDH1A1LMNAHSD17B10MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071909-B1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INST OF TECHN (US) 2014-01-22 EP disclosed
US-8597549-B2 Two-photon or higher-order absorbing optical materials for generation of reactive species THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-12-03 US disclosed
US-20080283804-A1 include a bridge of pi-conjugated bonds connecting electron donating or accepting groups; electronically excited upon absorption lead to formation of Lewis acidic species, Lewis basic species, radical species or ionic species; chromogens use in engineering, biological, and medicinal field CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-20 US disclosed
US-7235194-B2 Two-photon or higher-order absorbing optical materials for generation of reactive species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-26 US disclosed
EP-1071909-A4 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INST OF TECHN (US) 2005-02-02 EP disclosed
US-20040110984-A1 Two-photon or higher-order absorbing optical materials for generation of reactive species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-06-10 US disclosed
US-6608228-B1 Fluorenyl and dibenzosuberenyl moieties; efficient CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-08-19 US disclosed
EP-1071909-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2001-01-31 EP disclosed
WO-1999053242-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-10-21 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-20040110984-A1 Two-photon or higher-order absorbing optical materials for generation of reactive species SLC43A1, SLC7A1, SLC7A5 TSHR 3251/4885ALDH1A1 740/4885LMNA 2197/4885

“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.