SCHEMBL4558952

SCHEMBL4558952

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX5 P09917 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KIF11 P52732 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNN4 O15554 2/20 0.39
EPHX1 P07099 5/20 0.38

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
SCHEMBL20681289 0.87 MAPT (0.61) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL4560696 0.81 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL16892954 0.80 ALOX5 (0.48) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL29084050 0.79 MAPT (0.50) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL8314829 0.78 MAPT (0.48) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL615869 0.77 MAPT (0.48) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL616618 0.77 KMT2A (0.48) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL14246913 0.77 KMT2A (0.47) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL616397 0.76 MAPT (0.47) MAPTKMT2ACYP2D6CYP1A2ALOX5
SCHEMBL4558653 0.75 KMT2A (0.46) MAPTKMT2ACYP2D6CYP1A2ALOX5

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 58/4885CYP2D6 986/4885

“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.