SCHEMBL17528518

SCHEMBL17528518

O=C(O)[C@H]1[C@@H]2COCOC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
TFPI2 P48307 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
POLB P06746 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A2 P43004 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPP5C P53041 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
SCHEMBL17495616 1.00 KDM4E (0.39) KDM4ETSHRGMNNLMNAPMP22
SCHEMBL19206038 1.00 KDM4E (0.39) KDM4ETSHRGMNNLMNAPMP22
SCHEMBL5135804 0.89
SCHEMBL1583863 0.89
SCHEMBL1584181 0.89
SCHEMBL14630769 0.89
SCHEMBL2685140 0.89
SCHEMBL1583972 0.89
SCHEMBL14630771 0.89
SCHEMBL5135807 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179775-B2 Cyclooctenes for bioorthogonol reactions THE GENERAL HOSPITAL CORPORATION (US) 2019-01-15 US disclosed
US-20170233365-A1 CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS THE GENERAL HOSPITAL CORPORATION 2017-08-17 US disclosed
US-20170233365-A1 CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS THE GENERAL HOSPITAL CORPORATION 2017-08-17 US disclosed
US-20170233365-A1 CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS THE GENERAL HOSPITAL CORPORATION 2017-08-17 US disclosed
WO-2016025480-A1 CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-18 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-10179775-B2 Cyclooctenes for bioorthogonol reactions SQLE, BBOX1, TKT KDM4E 4222/4885TSHR 2511/4885GMNN 692/4885
US-20170233365-A1 CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS SQLE, BBOX1, TKT KDM4E 4222/4885TSHR 2511/4885GMNN 692/4885

“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.