SCHEMBL4558972

SCHEMBL4558972

CCCCC(=O)N(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LTB4R2 Q9NPC1 7/20 0.46
POLB P06746 1/20 0.46
AGTR1 P30556 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ASAH1 Q13510 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL4561031 0.92 TP53 (0.54) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL4560573 0.85 ALDH1A1 (0.51) LMNATP53ALDH1A1SMN1; SMN2ALOX5
SCHEMBL9321117 0.83 ALDH1A1 (0.61) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL11815719 0.81 ALDH1A1 (0.59) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL4558955 0.81 ALDH1A1 (0.50) LMNATP53ALDH1A1SMN1; SMN2LTB4R2
SCHEMBL23086144 0.79 CES2 (0.49) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL28367202 0.79 CES2 (0.49) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL11784549 0.79 CES2 (0.49) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL30404353 0.79 CES2 (0.49) LMNATP53ALDH1A1SMN1; SMN2CES2
SCHEMBL5696562 0.78 SMN1; SMN2 (0.49) LMNATP53ALDH1A1SMN1; SMN2POLB

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 LMNA 424/4885TP53 1559/4885ALDH1A1 532/4885

“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.