SCHEMBL3765199

SCHEMBL3765199

CC1(C)CC(OC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.35
CYP2D6 P10635 1/20 0.33
LMNA P02545 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
SCHEMBL12723132 0.94 GAA (0.47) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL12227672 0.89 GAA (0.43) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL7526296 0.87 GAA (0.50) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL272468 0.86 GAA (0.47) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL12885271 0.85 GAA (0.43) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL22127756 0.85 GAA (0.49) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL241284 0.85 KMT2A (0.50) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL21444950 0.85 GAA (0.41) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL13227472 0.84 GAA (0.46) GAAHTTL3MBTL1KDM4ETSHR
SCHEMBL15325748 0.83 GAA (0.43) GAAHTTL3MBTL1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012542-B2 Flame retardant rotomolded polyolefin BASF SE (DE) 2024-06-18 US disclosed
EP-3988561-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2023-06-07 EP disclosed
EP-3988561-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2022-04-27 EP disclosed
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases XWPharma Ltd. (KY) 2022-04-26 US disclosed
EP-3679051-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2021-12-29 EP disclosed
US-20210087471-A1 FLAME RETARDANT ROTOMOLDED POLYOLEFIN BASF CORPORATION 2021-03-25 US disclosed
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES XWPharma Ltd. (KY) 2021-03-04 US disclosed
EP-2272918-B1 WOODY SYNTHETIC RESIN COMPOSITION HAVING IMPROVED WEATHER RESISTANCE AND MOLDED BODY THEREOF ADEKA CORP (JP) 2017-12-20 EP disclosed
WO-2016131791-A1 LIGHT STABILIZED POLYOLEFIN FILMS, TAPES AND MONOFILAMENTS BASF SE (DE) 2016-08-25 WO disclosed
US-9388339-B2 Liquid-crystalline medium, method for the stabilization thereof, and liquid-crystal display MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
EP-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME ADEKA CORPORATION (JP) 2010-12-02 US disclosed
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME ADEKA CORPORATION (JP) 2010-12-02 US disclosed
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME ADEKA CORPORATION (JP) 2010-12-02 US disclosed
EP-2210918-A1 RESIN COMPOSITION AND RESIN MOLDED ARTICLE Adeka Corporation (JP) 2010-07-28 EP disclosed
EP-2204420-A1 SYNTHETIC RESIN COMPOSITION AND AUTOMOTIVE INTERIOR/EXTERIOR MATERIAL Adeka Corporation (JP) 2010-07-07 EP disclosed
EP-1978017-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME Adeka Corporation (JP) 2008-10-08 EP disclosed
EP-1978017-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME Adeka Corporation (JP) 2008-10-08 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 (3 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-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 GAA 88/4885HTT 400/4885L3MBTL1 1336/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 GAA 88/4885HTT 400/4885L3MBTL1 1336/4885
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME NOX5, NOX1, NOC2L GAA 2726/4885HTT 2913/4885L3MBTL1 3419/4885

“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.