Ether

Ether

SCHEMBL6366120

CCOCC.COc1ccc(COC=O)cc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
APP P05067 6/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL6342 0.91 IDO1 (0.55) IDO1AGXTNPC1RAB9ATDP1
SCHEMBL28560899 0.89 IDO1 (0.53) IDO1AGXTNPC1RAB9ATDP1
SCHEMBL28552476 0.89 IDO1 (0.53) IDO1AGXTNPC1RAB9ATDP1
Iodide SCHEMBL9356671 0.89 IDO1 (0.53) IDO1AGXTNPC1RAB9ATDP1
SCHEMBL1456264 0.81 PTGS2 (0.46) IDO1AGXTNPC1RAB9ATDP1
Ether SCHEMBL27737986 0.81 IDO1 (0.57) IDO1AGXTTDP1APPHTT
SCHEMBL208839 0.80 NQO1 (0.54) NPC1RAB9ATDP1KDM4ESMN1; SMN2
SCHEMBL2618879 0.79 IDO1 (0.59) IDO1AGXTTDP1APPHTT
Tetrahydrofuran SCHEMBL8482734 0.79 SMN1; SMN2 (0.46) IDO1AGXTNPC1RAB9ATDP1
SCHEMBL11392894 0.77 CA2 (0.39) IDO1AGXTCYP3A4TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861537-B2 Tricyclic and tetracyclic taxane intermediates FLORIDA STATE UNIVERSITY (US) 2005-03-01 US disclosed
EP-0960881-B1 Synthesis of taxol and its derivatives UNIV FLORIDA STATE (US) 2003-04-23 EP disclosed
US-20030050485-A1 For the preparation of taxol and other tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY 2003-03-13 US disclosed
US-6433189-B2 Tricyclic and tetracyclic taxane intermediates FLORIDA STATE UNIVERSITY 2002-08-13 US disclosed
US-20010053857-A1 Tricyclic and tetracyclic taxane intermediates HOLTON ROBERT A (US) 2001-12-20 US disclosed
US-6278026-B1 USED IN SYNTHESIS OF TAXOL AND OTHER TRICYCLIC AND TETRACYCLIC TAXANES FLORIDA STATE UNIVERSITY 2001-08-21 US disclosed
EP-0710223-B1 SYNTHESIS OF TAXOL AND ITS DERIVATIVES UNIV FLORIDA STATE (US) 2000-06-14 EP disclosed
US-6005120-A INTERMEDIATE FOR USE IN THE PREPARATION OF TAXOL OR OTHER TRICYCLIC OR TETRACYCLIC TAXANES FLORIDA STATE UNIVERSITY (US) 1999-12-21 US disclosed
EP-0960881-A1 Synthesis of taxol and its derivatives FLORIDA STATE UNIVERSITY (US) 1999-12-01 EP disclosed
US-5760252-A Synthetic process for the preparation of tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1998-06-02 US disclosed
US-5637732-A Tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1997-06-10 US disclosed
US-5618952-A Synthetic process for the preparation of tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1997-04-08 US disclosed
US-5405972-A Synthetic process for the preparation of taxol and other tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1995-04-11 US disclosed
WO-1995003265-A1 SYNTHESIS OF TAXOL AND ITS DERIVATIVES FLORIDA STATE UNIVERSITY (US) 1995-02-02 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-20010053857-A1 Tricyclic and tetracyclic taxane intermediates TUBB, TYMS, TUBA1C IDO1 4198/4885AGXT 1464/4885NPC1 1219/4885
US-20030050485-A1 For the preparation of taxol and other tricyclic and tetracyclic taxanes TUBA1C, TUBB, TUBA1A IDO1 4791/4885AGXT 3350/4885NPC1 1041/4885

“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.