SCHEMBL3822795

SCHEMBL3822795

CC(C)COC(=O)C1CC(=O)N(C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.61
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS1 P23219 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.39
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
P2RX7 Q99572 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3843491 0.85 BRD4 (0.58) BRD4POLBKMT2ALMNACYP3A4
SCHEMBL12667142 0.82 BRD4 (0.67) BRD4POLBKMT2AMAPTSMN1; SMN2
SCHEMBL30282498 0.82 BRD4 (0.67) BRD4POLBKMT2AMAPTSMN1; SMN2
SCHEMBL28956225 0.82 BRD4 (0.67) BRD4POLBKMT2AMAPTSMN1; SMN2
SCHEMBL3824098 0.82 POLB (0.66) BRD4POLBMEN1KMT2ATDP1
SCHEMBL15042223 0.79 BRD4 (0.63) BRD4POLBKMT2ALMNAMAPT
SCHEMBL1362127 0.79 BRD4 (0.63) BRD4KMT2ALMNACYP3A4CYP2C9
SCHEMBL3821889 0.79 BRD4 (0.51) BRD4POLBKMT2AMAPTSMN1; SMN2
SCHEMBL3823547 0.79 BRD4 (0.51) BRD4MEN1KMT2ALMNACYP3A4
SCHEMBL12368059 0.77 BRD4 (0.59) BRD4MEN1KMT2ALMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722589-B2 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-13 US disclosed
US-20130217892-A1 Use Of N-Substituted 2-Pyrrolidone-4-Carboxylic Acid Esters And Solvents CLARIANT FINANCE (BVI) LIMITED (VG) 2013-08-22 US disclosed
US-20130217579-A1 Pesticide Preparations Containing N-Substituted 2-Pyrrolidone-4-Carboxylic Acid Esters CLARIANT FINANCE (BVI) LIMITED (VG) 2013-08-22 US disclosed
US-20090042747-A1 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT INTERNATIONAL LTD. 2009-02-12 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 (2 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-20130217892-A1 Use Of N-Substituted 2-Pyrrolidone-4-Carboxylic Acid Esters And Solvents CACNA1B, C9, CACNA1E BRD4 3472/4885POLB 566/4885MEN1 2122/4885
US-20130217579-A1 Pesticide Preparations Containing N-Substituted 2-Pyrrolidone-4-Carboxylic Acid Esters DDT, PCCA, PC BRD4 3135/4885POLB 3014/4885MEN1 1036/4885

“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.