SCHEMBL17119504

SCHEMBL17119504

Cc1ncc(COCCC(C)C)c(CN)c1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
AOC3 Q16853 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17120815 0.86 LMNA (0.56) KDM4ELMNA
SCHEMBL17119505 0.80 KDM4E (0.38) KDM4ELMNAAOC3
SCHEMBL16675429 0.71 LMNA (0.59) KDM4ELMNA
SCHEMBL20804156 0.71 LMNA (0.42) KDM4ELMNAAOC3
SCHEMBL9970098 0.70 LMNA (0.71) KDM4ELMNAAOC3
SCHEMBL9970107 0.70 AOC3 (0.39) KDM4ELMNAAOC3
SCHEMBL9970110 0.69 LMNA (0.38) KDM4ELMNAAOC3
SCHEMBL14646864 0.67 LMNA (0.56) KDM4ELMNA
SCHEMBL14646865 0.66 LMNA (0.64) KDM4ELMNAAOC3
SCHEMBL9970109 0.65 LMNA (0.44) KDM4ELMNAAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-09-24 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 (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-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA H1-2, H1-4, H1-3 KDM4E 330/4885LMNA 174/4885AOC3 3657/4885

“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.