SCHEMBL278339

SCHEMBL278339

CC(=CCCC=C(C)C(=O)NO)C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CA2 P00918 1/20 0.38
PTGS1 P23219 1/20 0.38
MMP12 P39900 1/20 0.38
NFKB1 P19838 1/20 0.30
TRPA1 O75762 1/20 0.30
HDAC1 Q13547 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
SCHEMBL20504550 1.00 KDM4E (0.38) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL383606 0.88 HDAC8 (0.36) KDM4ECA2PTGS1MMP12HDAC1
SCHEMBL27905560 0.84 CCR2 (0.40) CA2HDAC1
SCHEMBL2350820 0.82
SCHEMBL9814623 0.79 NFKB1 (0.30) NFKB1TRPA1
SCHEMBL6682186 0.77 GRIK1 (0.35) KDM4ECA2PTGS1MMP12
SCHEMBL627893 0.77 KDM4E (0.32) KDM4ECA2PTGS1MMP12HDAC1
SCHEMBL1172931 0.75
SCHEMBL628574 0.69 HDAC8 (0.44) HDAC1
SCHEMBL129059 0.69 CD81 (0.44) KDM4EPTGS1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114392040-A Systems and methods for delivering therapeutic agents 特清公司 2022-04-26 CN disclosed
US-8133512-B2 Drug delivery systems based on catonic siloxanyl macromonomers BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-8133511-B2 Drug delivery system based on cationic siloxanyl macromonomers BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-20090274745-A1 Drug delivery systems based on catonic siloxanyl macromonomers BAUSCH & LOMB INCORPORATED (US) 2009-11-05 US disclosed
US-20090274744-A1 Drug delivery system based on cationic siloxanyl macromonomers BAUSCH & LOMB INCORPORATED (US) 2009-11-05 US disclosed
US-7579021-B2 Drug delivery systems based on degradable cationic siloxanyl macromonomers BAUSCH & LOMB INCORPORATED (US) 2009-08-25 US disclosed
US-20080075780-A1 Drug delivery systems based on degradible cationic siloxanyl macromonomers SANTARUS, INC. 2008-03-27 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 (3 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-20090274744-A1 Drug delivery system based on cationic siloxanyl macromonomers MSR1, LPXN, SRRM2 KDM4E 2162/4885CA2 2079/4885PTGS1 1601/4885
US-20090274745-A1 Drug delivery systems based on catonic siloxanyl macromonomers MMP13, LPXN, SLC13A2 KDM4E 2807/4885CA2 601/4885PTGS1 1353/4885
US-20080075780-A1 Drug delivery systems based on degradible cationic siloxanyl macromonomers MSR1, LPXN, SRRM2 KDM4E 2107/4885CA2 1777/4885PTGS1 1513/4885

“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.