SCHEMBL4560241

SCHEMBL4560241

COc1ccc(C(N)=O)c(C(C)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KMT2A Q03164 5/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PARP1 P09874 1/20 0.38
USP2 O75604 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL4560243 0.90 FABP3 (0.40) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL23361670 0.80 FABP3 (0.51) FABP3FABP4FABP5ALDH1A1AURKA
SCHEMBL529975 0.77 FABP3 (0.49) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL5582520 0.75 HK2 (0.48) FABP3FABP4FABP5AURKARPS6KB1
SCHEMBL3650281 0.75 IRAK4 (0.47) ALDH1A1HPGDAURKARPS6KB1IRAK4
SCHEMBL4786305 0.75 IRAK4 (0.47) ALDH1A1HPGDAURKARPS6KB1IRAK4
SCHEMBL3351170 0.75 IRAK4 (0.47) ALDH1A1HPGDAURKARPS6KB1IRAK4
SCHEMBL9765827 0.75 MAPT (0.49) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL529977 0.75 FABP4 (0.46) FABP3FABP4FABP5AURKARPS6KB1
SCHEMBL31653573 0.75 FABP4 (0.46) FABP3FABP4FABP5AURKARPS6KB1

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 FABP3 4259/4885FABP4 4498/4885FABP5 3717/4885

“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.