SCHEMBL5355641

SCHEMBL5355641

CN(C(=O)Oc1cccc(Br)c1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 4/20 0.47
ACHE P22303 7/20 0.44
BCHE P06276 3/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.40
RIPK1 Q13546 1/20 0.40
FAAH O00519 1/20 0.39

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
Trimethylammonium SCHEMBL11599930 0.82 NCEH1 (0.66) NCEH1MAPTCYP1A2GAARECQL
SCHEMBL6242893 0.81 LMNA (0.49) NCEH1MAPTCYP1A2GAARECQL
SCHEMBL27389053 0.80 L3MBTL1 (0.53) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL27889564 0.79 ALDH1A1 (0.45) NCEH1MAPTCYP1A2GAARECQL
SCHEMBL28692632 0.79 CYP1A2 (0.43) NCEH1MAPTCYP1A2GAARECQL
SCHEMBL6024449 0.77 CYP1A2 (0.53) MAPTCYP1A2GAARECQLLMNA
SCHEMBL2138465 0.76 LMNA (0.70) NCEH1MAPTCYP1A2GAARECQL
SCHEMBL27574881 0.75 HCAR2 (0.51) CYP1A2RECQLKMT2ACYP2C19CYP3A4
SCHEMBL498839 0.74 LMNA (0.63) MAPTCYP1A2GAARECQLLMNA
SCHEMBL8579809 0.74 KMT2A (0.59) MAPTCYP1A2GAARECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296897-A PPAR-modulating biaromatic compounds GALDERMA RES & DEV (FR) 2008-10-29 CN disclosed
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN disclosed
CN-1950335-A Novel biaromatic compounds which activate PPAR.gamma.-type receptors, their process of preparation and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-04-18 CN disclosed
US-7164018-B2 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-16 US disclosed
US-20040186243-A1 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-09-23 US disclosed
US-6740712-B2 SILICON LINKERS BASED ON CARBAMYL PIPERAZINE MOIETY; USE IN SOLID PHASE SYNTHESIS OF COMPOUNDS OR LIBRARIES OF COMPOUNDS EMBRACING A PHENYL RING IN THEIR STRUCTURE BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
EP-1360211-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-29 US disclosed
WO-2002060960-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-08 WO 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-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries DOT1L, DNMT3L, SMYD2 NCEH1 4544/4885MAPT 856/4885CYP1A2 2981/4885

“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.