SCHEMBL5607500

SCHEMBL5607500

CCCOC(=O)COC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 3/20 0.35
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
GLA P06280 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33

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
SCHEMBL12189970 0.89 TDP1 (0.40) NAAADGKAALDH1A1TDP1LMNA
SCHEMBL5608010 0.88 NAAA (0.48) NAAADGKAALDH1A1TDP1HCAR2
SCHEMBL2757536 0.83 TDP1 (0.41) DGKAALDH1A1TDP1TSHR
SCHEMBL3248904 0.82 GAA (0.50) ALDH1A1LMNATSHR
SCHEMBL10404752 0.81 DGKA (0.45) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL29339586 0.81 TDP1 (0.51) ALDH1A1TDP1LMNA
SCHEMBL13349138 0.81 NAAA (0.36) NAAADGKAALDH1A1TDP1HCAR2
SCHEMBL10907242 0.79 ALDH1A1 (0.36) NAAADGKAALDH1A1TDP1HCAR2
SCHEMBL863577 0.79 TDP1 (0.39) DGKAALDH1A1TDP1TSHR
SCHEMBL6990282 0.79 NAAA (0.35) NAAADGKAALDH1A1TDP1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12032290-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed
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
CN-109400463-B Preparation method of 2-n-propoxyacetyl chloride 北京颖泰嘉和生物科技股份有限公司 2021-10-22 CN 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
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-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-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 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-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 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
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 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 (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 208/4885DGKA 2450/4885ALDH1A1 1078/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 NAAA 2679/4885DGKA 4761/4885ALDH1A1 63/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885DGKA 2450/4885ALDH1A1 1078/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 NAAA 294/4885DGKA 3037/4885ALDH1A1 2811/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR NAAA 2122/4885DGKA 2985/4885ALDH1A1 5/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885DGKA 2450/4885ALDH1A1 1078/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NAAA 198/4885DGKA 2359/4885ALDH1A1 3337/4885
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 NAAA 208/4885DGKA 2450/4885ALDH1A1 1078/4885

“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.