SCHEMBL822121

SCHEMBL822121

COCOC(=O)NCNC(=O)OCOC(=O)NCNC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 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
SCHEMBL10079787 0.98 ACHE (0.35) ACHEKDM4EMAPK1HIF1ATSHR
SCHEMBL18883571 0.94 MGAM (0.34) ACHE
SCHEMBL17126889 0.92 KDM4E (0.37) ACHEKDM4EMAPK1HIF1ATSHR
SCHEMBL13686222 0.90 EPHX1 (0.35) ACHEKDM4EMAPK1HIF1ATSHR
SCHEMBL13010535 0.85 ACHE (0.38) ACHETSHR
SCHEMBL13144569 0.84 ALDH1A1 (0.41) ACHEKDM4ETSHR
SCHEMBL15293386 0.81 EPHX1 (0.40) ACHETSHR
SCHEMBL13144606 0.80 HTT (0.33) TSHR
SCHEMBL18895910 0.80 ACHE (0.42) ACHETSHR
SCHEMBL13010568 0.79 ACHE (0.32) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695268-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2017-07-04 US disclosed
US-20150105530-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LTD (AU) 2015-04-16 US disclosed
US-8962786-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LTD (AU) 2015-02-24 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 US disclosed
US-7964696-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-06-21 US disclosed
US-20090175921-A1 Chain Extenders POLYNOVO BIOMATERIALS PTY LIMITED 2009-07-09 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 (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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 ACHE 4438/4885KDM4E 1903/4885MAPK1 1917/4885
US-20090175921-A1 Chain Extenders UMPS, PUF60, SMC1A ACHE 4444/4885KDM4E 1948/4885MAPK1 1706/4885

“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.