SCHEMBL807679

SCHEMBL807679

CCCCOC(=O)OCOC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ATM Q13315 1/20 0.48
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 7/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14566507 0.94 NAAA (0.50) ALDH1A1ATMTSHRACHEHCAR2
SCHEMBL1469918 0.92 NAAA (0.53) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL20751681 0.92 NAAA (0.53) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL15047803 0.92 NAAA (0.53) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL13465905 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL807497 0.86 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL37837 0.86 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL1469826 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL1469335 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL1470139 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDACHE

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
US-9855289-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-01-02 US disclosed
EP-3249735-A2 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2017-11-29 EP disclosed
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-10-12 US disclosed
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070224514-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 (10 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885ATM 3510/4885TSHR 3861/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH ALDH1A1 4791/4885ATM 2784/4885TSHR 4310/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 ALDH1A1 2703/4885ATM 3675/4885TSHR 1097/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E ALDH1A1 1919/4885ATM 3317/4885TSHR 4486/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885ATM 3510/4885TSHR 3861/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ALDH1A1 1927/4885ATM 2749/4885TSHR 3767/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 ALDH1A1 2811/4885ATM 1049/4885TSHR 3809/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 ALDH1A1 3629/4885ATM 1242/4885TSHR 897/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885ATM 3510/4885TSHR 3861/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885ATM 1678/4885TSHR 4782/4885

“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.