SCHEMBL4560918

SCHEMBL4560918

CC(c1ccccc1)C(c1ccccc1)C(C)(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.43
AOC3 Q16853 1/20 0.40
EPHX1 P07099 5/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL23582774 0.84 MAPT (0.43) MAPTKMT2AALOX5AOC3LMNA
SCHEMBL17520105 0.84 MAPT (0.46) MAPTKMT2AALOX5AOC3EPHX1
SCHEMBL8314829 0.79 MAPT (0.48) MAPTKMT2AALOX5AOC3ADRA2A
SCHEMBL6017678 0.77 MAPT (0.50) MAPTKMT2AALOX5AOC3EPHX1
SCHEMBL11663964 0.72 L3MBTL1 (0.45) KMT2AAOC3LMNATDP1L3MBTL1
SCHEMBL17223814 0.71 KMT2A (0.44) MAPTKMT2AALOX5AOC3LMNA
SCHEMBL7475015 0.71 ALOX5 (0.55) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL28260719 0.71 ALOX5 (0.55) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL341787 0.71 ALOX5 (0.50) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL14246913 0.70 KMT2A (0.47) MAPTKMT2AALOX5ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 1533/4885KMT2A 58/4885ALOX5 2866/4885

“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.