SCHEMBL3248904

SCHEMBL3248904

CCOC(=O)COC(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TRPA1 O75762 1/20 0.46
NLRP3 Q96P20 5/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL21578793 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10837934 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12189970 0.83 TDP1 (0.40) ALDH1A1TSHRLMNA
SCHEMBL7903373 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13349132 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28885641 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28367591 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1749919 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11798942 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5607500 0.82 NAAA (0.38) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117778208-A Hansenula polymorpha (Hanseniaspora opuntiae) strain 52 and application, product and method thereof 西北农林科技大学 2024-03-29 CN claimed
CN-117778208-A Hansenula polymorpha (Hanseniaspora opuntiae) strain 52 and application, product and method thereof 西北农林科技大学 2024-03-29 CN disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
EP-4225761-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
EP-0717053-A2 Catalyst for olefin polymerization and process for producing polyolefin using the same JAPAN POLYOLEFINS CO., LTD. (JP) 1996-06-19 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
US-5476825-A Consists of magnesium, titanium and halogen compounds, an organoaluminum compound, a reaction product of organoaluminum or organoboron compound with organosilicon compound SHOWA DENKO K.K. (JP) 1995-12-19 US disclosed
EP-0383346-B1 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KK (JP) 1995-05-03 EP disclosed
US-5407883-A Containing magnesium, titanium, aluminum and silicon compounds including polymeric aluminum and alumoxanes SHOWA DENKO K.K. (JP) 1995-04-18 US disclosed
EP-0640624-A1 Catalyst for polymerization of olefin and process for the preparation of olefin polymer SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed
EP-0578473-A1 Catalyst for polymerization of olefin and process for producing olefin polymer SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-01-12 EP disclosed
US-5041403-A Magnesium, titanium, halogen, ester compound, and organic aluminum compound SHOWA DENKO K.K. (JP) 1991-08-20 US disclosed
EP-0383346-A2 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-08-22 EP disclosed
US-3973013-A Substituted S-carboxymethyl-(thiono)-(di)-thiol-phosphonic acid esters and ester-amides and insecticidal composition and method BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (4 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 GAA 1315/4885MGAM 1795/4885SI 305/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GAA 904/4885MGAM 1728/4885SI 2678/4885
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GAA 1085/4885MGAM 1523/4885SI 2749/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 GAA 3364/4885MGAM 3751/4885SI 2610/4885

“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.