SCHEMBL4559945

SCHEMBL4559945

CCC(c1ccccc1)C(C)(C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
KIF11 P52732 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX1 P07099 5/20 0.40
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
LMNA P02545 2/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HTT P42858 1/20 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
SCHEMBL28638370 0.82 KMT2A (0.46) MAPTKMT2AKIF11TRPM8CNR1
SCHEMBL12504221 0.80 CYP2C19 (0.40) MAPTKMT2ACYP2C19HIF1ACNR1
SCHEMBL7136093 0.80 MAPT (0.52) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL4560696 0.78 MAPT (0.53) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL616622 0.78 MAPT (0.53) MAPTKMT2ACYP2C19HIF1ACNR1
SCHEMBL3847248 0.78 MAPT (0.53) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL4456608 0.77 KMT2A (0.41) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL615873 0.77 KMT2A (0.52) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL616401 0.77 MAPT (0.52) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL5053650 0.75 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AKIF11

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 58/4885CYP2C19 782/4885

“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.