SCHEMBL4334271

SCHEMBL4334271

CCOC(=O)C(C)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TRPA1 O75762 1/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLO1 Q04760 1/20 0.37
KMT2A Q03164 2/20 0.36
PIN1 Q13526 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4334264 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL15649073 0.90 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL13898708 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11436540 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14038944 0.81 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL18656459 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL13609678 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL12310810 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18175329 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL12313561 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM

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-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-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-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-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 US disclosed
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 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
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN 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 (7 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 1078/4885LMNA 603/4885HSD17B10 1666/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 ALDH1A1 63/4885LMNA 4616/4885HSD17B10 1010/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885LMNA 603/4885HSD17B10 1666/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 ALDH1A1 2811/4885LMNA 787/4885HSD17B10 2922/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885LMNA 603/4885HSD17B10 1666/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885LMNA 2720/4885HSD17B10 1703/4885
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885LMNA 603/4885HSD17B10 1666/4885

“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.