SCHEMBL15944490

SCHEMBL15944490

CCOC(=O)C(C)(C(=O)NC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNN4 O15554 1/20 0.42
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL2910521 0.87 PIN1 (0.54) MMP8PIN1ALDH1A1RECQLMEN1
Malonic Acid SCHEMBL18670143 0.84 MMP8 (0.50) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL14747879 0.83 PIN1 (0.51) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL2912931 0.83 PIN1 (0.51) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL14791235 0.83 MMP8 (0.49) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL15973619 0.82 PIN1 (0.50) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL1581080 0.81 PIN1 (0.49) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL14791242 0.81 MAPT (0.50) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL15944491 0.80 MMP8 (0.47) MMP8PIN1ALDH1A1RECQLMEN1
SCHEMBL14783000 0.79 KMT2A (0.50) MMP8ALDH1A1MEN1KMT2AMAPT

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-9056817-B2 Arylated β-dicarbonyl compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-16 US disclosed
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-14 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-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF CYP51A1, DDT, CYP3A4 MMP8 4860/4885PIN1 841/4885ALDH1A1 123/4885

“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.