SCHEMBL5608010

SCHEMBL5608010

CCCCOC(=O)COC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.45
DGKA P23743 1/20 0.44
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL5607500 0.88 NAAA (0.38) NAAAALDH1A1DGKATSHRTDP1
SCHEMBL11452034 0.85 FAAH (0.51) NAAAALDH1A1ATMDGKAHPGD
SCHEMBL12189970 0.85 TDP1 (0.40) NAAAALDH1A1DGKATSHRL3MBTL1
SCHEMBL13081923 0.82 NAAA (0.47) NAAAALDH1A1ATMDGKAHPGD
SCHEMBL3823248 0.82 DGKA (0.52) NAAAALDH1A1ATMDGKAHPGD
SCHEMBL14240973 0.81 TDP1 (0.44) NAAAALDH1A1TDP1RAD52NPSR1
SCHEMBL1515512 0.80 NAAA (0.42) NAAAALDH1A1ATMDGKAHPGD
SCHEMBL12500940 0.80 TSHR (0.49) NAAAALDH1A1ATMDGKAHPGD
SCHEMBL14240968 0.79 TDP1 (0.42) NAAAALDH1A1DGKATDP1RAD52
SCHEMBL10624735 0.79 NAAA (0.44) NAAAALDH1A1ATMDGKAHPGD

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 22 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-10548913-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2020-02-04 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
EP-2632460-B1 THIOPHENE DERIVATIVES FOR USE IN THE TREATMENT OF TUBERCULOSIS UNIV VIRGINIA PATENT FOUNDATION (US) 2018-02-28 EP disclosed
US-9855289-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-01-02 US disclosed
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-10-12 US disclosed
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-07-06 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
US-6121483-A 3-alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO K.K. (JP) 2000-09-19 US disclosed
US-6118019-A 3-alkoxypropionic ester derivative SHOWA DENKO K.K. (JP) 2000-09-12 US disclosed
US-6015867-A MIXTURES OF ORGANOALUMINUM COMPOUNDS, MAGNESIUM, TITANIUM AND HALOGEN COMPOUNDS WITH ELECTRON DONOR ESTER AS INTENSIFIER, NONTOXIC, SAFE, EFFICIENT SHOWA DENKO K.K. (JP) 2000-01-18 US disclosed
EP-0704424-B1 3-Alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO KK (JP) 1998-12-30 EP disclosed
EP-0704424-A1 3-alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-04-03 EP 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 (8 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 NAAA 208/4885ALDH1A1 1078/4885ATM 3510/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885ALDH1A1 1078/4885ATM 3510/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 NAAA 294/4885ALDH1A1 2811/4885ATM 1049/4885
US-10548913-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 NAAA 208/4885ALDH1A1 1078/4885ATM 3510/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR NAAA 2122/4885ALDH1A1 5/4885ATM 4840/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885ALDH1A1 1078/4885ATM 3510/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NAAA 198/4885ALDH1A1 3337/4885ATM 1678/4885
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885ALDH1A1 1078/4885ATM 3510/4885

“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.