SCHEMBL3741329

SCHEMBL3741329

CC1(C)CC(C(N)=O)CC(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
APLNR P35414 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL3741325 0.82 SMN1; SMN2 (0.36) GAAL3MBTL1SMN1; SMN2APLNRKMT2A
SCHEMBL416167 0.79 APLNR (0.58) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL3004068 0.79 GAA (0.43) GAAL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20711669 0.77 GAA (0.41) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL4206610 0.75
SCHEMBL20467800 0.74 GAA (0.39) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL12846334 0.74 GAA (0.39) GAAL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13225974 0.74 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13225973 0.74 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13979304 0.74 APLNR (0.41) GAAL3MBTL1KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681903-A REACTING POLYMERIC ALIPHATIC ALKANEDIOL WITH STABLE FREE RADICAL NITROXIDE IN PRESENCE OF NITROGEN OXIDE-GENERATING COMPOUND AND OXIDANT, SEPARATING POLYMERIC ALPHA, OMEGA-DIALDEHYDE AND/OR DIACID SHELL OIL COMPANY (US) 1997-10-28 US claimed
US-5495045-A REACTING ALKOXYALKANOL WITH STABLE FREE RADICAL NITROXIDE IN PRESENCE OF CERIUM SALT, NITRITE COMPOUND, POLAR SOLVENT, OXIDANT AND WATER SHELL OIL COMPANY (US) 1996-02-27 US claimed
US-5488154-A REACTING ALKOXYALKANE WITH FREE RADICAL NITROXIDE SHELL OIL COMPANY (US) 1996-01-30 US claimed
US-5391822-A Reacting corresponding branched alkoxyalkanol with stable free radical nitroxide in presence of nitrogen oxide-generating compound, oxidant and solvent, separating SHELL OIL COMPANY (US) 1995-02-21 US claimed
US-5380930-A Reacting alkoxyalkanol with a nitroxide SHELL OIL COMPANY (US) 1995-01-10 US claimed
US-5352824-A Oxidation of alkoxyalkanol using stable free radical nitroxide, copper or iron salt and nitrite catalysts in solvent SHELL OIL COMPANY (US) 1994-10-04 US claimed
US-5336811-A Reacting corresponding aryl methanol with a free radical nitroxide in the presence of a nitrogen oxide generating compound SHELL OIL COMPANY (US) 1994-08-09 US claimed
WO-2024005141-A1 COMPOSITION FOR HOLOGRAPHIC RECORDING MEDIA 三菱ケミカル株式会社 2024-01-04 WO disclosed
US-11378881-B2 Composition for holographic recording medium, cured product for holographic recording medium, and holographic recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2022-07-05 US disclosed
US-20210080826-A1 COMPOSITION FOR HOLOGRAPHIC RECORDING MEDIUM, CURED PRODUCT FOR HOLOGRAPHIC RECORDING MEDIUM, AND HOLOGRAPHIC RECORDING MEDIUM MITSUBISHI CHEMICAL CORPORATION (JP) 2021-03-18 US disclosed
US-20140349218-A1 PHOTOSENSITIVE MATERIAL, HOLOGRAPHIC RECORDING MEDIUM AND HOLOGRAPHIC RECORDING METHOD NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD (JP) 2014-11-27 US disclosed
US-8598340-B2 Spirooxazine radical derivatives and reversible isomerization reaction NEC CORPORATION (JP) 2013-12-03 US disclosed
US-20130072678-A1 SPIROOXAZINE RADICAL DERIVATIVES AND REVERSIBLE ISOMERIZATION REACTION NEC CORPORATION (JP) 2013-03-21 US disclosed
US-5681903-A REACTING POLYMERIC ALIPHATIC ALKANEDIOL WITH STABLE FREE RADICAL NITROXIDE IN PRESENCE OF NITROGEN OXIDE-GENERATING COMPOUND AND OXIDANT, SEPARATING POLYMERIC ALPHA, OMEGA-DIALDEHYDE AND/OR DIACID SHELL OIL COMPANY (US) 1997-10-28 US disclosed
US-5495045-A REACTING ALKOXYALKANOL WITH STABLE FREE RADICAL NITROXIDE IN PRESENCE OF CERIUM SALT, NITRITE COMPOUND, POLAR SOLVENT, OXIDANT AND WATER SHELL OIL COMPANY (US) 1996-02-27 US disclosed
US-5488154-A REACTING ALKOXYALKANE WITH FREE RADICAL NITROXIDE SHELL OIL COMPANY (US) 1996-01-30 US disclosed
US-5391822-A Reacting corresponding branched alkoxyalkanol with stable free radical nitroxide in presence of nitrogen oxide-generating compound, oxidant and solvent, separating SHELL OIL COMPANY (US) 1995-02-21 US disclosed
US-5380930-A Reacting alkoxyalkanol with a nitroxide SHELL OIL COMPANY (US) 1995-01-10 US disclosed
US-5352824-A Oxidation of alkoxyalkanol using stable free radical nitroxide, copper or iron salt and nitrite catalysts in solvent SHELL OIL COMPANY (US) 1994-10-04 US disclosed
US-5336811-A Reacting corresponding aryl methanol with a free radical nitroxide in the presence of a nitrogen oxide generating compound SHELL OIL COMPANY (US) 1994-08-09 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 (1 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-20130072678-A1 SPIROOXAZINE RADICAL DERIVATIVES AND REVERSIBLE ISOMERIZATION REACTION CYP4Z1, POR, CYP3A5 GAA 4323/4885L3MBTL1 4883/4885SMN1; SMN2 3967/4885

“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.