SCHEMBL406101

SCHEMBL406101

CC(C)CCCCN1C(=O)C=CC1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.67
FAAH O00519 5/20 0.67
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HSP90AA1 P07900 1/20 0.64
TLR9 Q9NR96 1/20 0.64
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
HPGD P15428 1/20 0.64
XBP1 P17861 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GPR35 Q9HC97 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
PTGS1 P23219 7/20 0.59

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
SCHEMBL14868075 0.98 MGLL (0.68) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL13078197 0.98 MGLL (0.68) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL14868080 0.98 MGLL (0.68) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL14962677 0.98 MGLL (0.68) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL3482198 0.94 MGLL (0.62) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL406705 0.87 MGLL (0.50) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL14868091 0.86 MGLL (0.52) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL14868093 0.86 MGLL (0.52) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL17170573 0.86 MGLL (0.52) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL3482800 0.85 MGLL (0.54) MGLLFAAHALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795239-B2 Products and methods for monitoring adherence to nucleoside reverse transcriptase inhibitor therapy ORASURE TECHNOLOGIES, INC. (US) 2023-10-24 US disclosed
US-20220196641-A1 REAGENTS, METHODS, AND SYSTEMS FOR DETECTING THERAPEUTIC AGENTS TO MONITOR ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR METABOLITES ORASURE TECHNOLIGIES, INC. 2022-06-23 US disclosed
WO-2022133193-A2 REAGENTS, METHODS, AND SYSTEMS FOR DETECTING THERAPEUTIC AGENTS TO MONITOR ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR METABOLITES ORASURE TECHNOLOGIES, INC. (US) 2022-06-23 WO disclosed
US-20200239598-A1 PRODUCTS AND METHODS FOR MONITORING ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR THERAPY URSURE, INC. (US) 2020-07-30 US disclosed
EP-3250232-B1 BRANCHED AND LINEAR CHIMERIC COMPOUNDS, POLYNUCLEOTIDES, USES AND METHODS FOR PREPARATION THEREOF DYNAVAX TECH CORP (US) 2020-04-29 EP disclosed
WO-2019075487-A1 PRODUCTS AND METHODS FOR MONITORING ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR THERAPY URSURE, INC. HARVARD LIFE LAB (US) 2019-04-18 WO disclosed
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 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 (5 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-11795239-B2 Products and methods for monitoring adherence to nucleoside reverse transcriptase inhibitor therapy DNTT, POLRMT, SLC29A1 MGLL 3427/4885FAAH 3206/4885ALDH1A1 227/4885
US-20200239598-A1 PRODUCTS AND METHODS FOR MONITORING ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR THERAPY DNTT, POLRMT, SLC29A1 MGLL 3427/4885FAAH 3206/4885ALDH1A1 227/4885
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM MGLL 2653/4885FAAH 3367/4885ALDH1A1 161/4885
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 MGLL 3983/4885FAAH 2802/4885ALDH1A1 1134/4885
US-20220196641-A1 REAGENTS, METHODS, AND SYSTEMS FOR DETECTING THERAPEUTIC AGENTS TO MONITOR ADHERENCE TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR METABOLITES DNTT, SLC29A1, SAMHD1 MGLL 3824/4885FAAH 3779/4885ALDH1A1 356/4885

“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.