SCHEMBL224980

SCHEMBL224980

CC1(C)CC(C(=O)O)CC(C)(C)N1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.58
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.35
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 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
SCHEMBL676895 1.00 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL6567505 0.86 TSHR (0.44) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL416167 0.81 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL12110903 0.81 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL7178038 0.81 APLNR (0.36) APLNRMAOB
SCHEMBL15568682 0.80 APLNR (0.42) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL3741325 0.79 SMN1; SMN2 (0.36) APLNRMAOBTDP1
SCHEMBL15951391 0.79 APLNR (0.56) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL6173752 0.76 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL17586693 0.76 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15ALDH1A1

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 1432 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714957-A1 (METH)ACRYLATE COMPOUND PRODUCTION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-03-25 EP claimed
US-20260008751-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF UNIWERSYTET WARSZAWSKI (PL) 2026-01-08 US claimed
EP-4100010-B1 NITROXIDE COMPOUNDS FOR USE IN THE TREATMENT OF OPIOID-INDUCED RESPIRATORY DEPRESSION (OIRD) UNIV CASE WESTERN RESERVE (US) 2026-01-07 EP claimed
EP-4551557-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF Uniwersytet Warszawski (PL) 2025-05-14 EP claimed
US-20250140457-A1 FERROMAGNETIC POLYMERS AND MAGNETIC FIELDS IN SOFT MAGNETIC COMPOSITES Genesee Valley Innovations, LLC 2025-05-01 US claimed
WO-2025056592-A1 APPARATUS FOR MODIFYING BLOOD ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-03-20 WO claimed
US-20250042832-A1 METHOD OF PREPARING GLUCARIC ACID FROM GLUCOSE USING NITROXIDE RADICAL-MEDIATED ORGANOCATALYST AND METHOD OF SEPARATING GLUCARIC ACID SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-02-06 US claimed
WO-2025019426-A1 ELECTROCHEMICAL CO2 CAPTURE WITH AIR STABLE REDOX SPECIES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-01-23 WO claimed
WO-2024237180-A1 (METH)ACRYLATE COMPOUND PRODUCTION METHOD 三菱瓦斯化学株式会社 2024-11-21 WO claimed
US-12110271-B2 Manufacturing method for 4-methoxypyrrole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2024-10-08 US claimed
US-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 US claimed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US claimed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 US claimed
US-6740528-B2 MONITORING REACTIVE IONS IN SAMPLE; OBTAIN SAMPLE, INCUBATE WITH MODULATOR OF IONIC ACTIVITY, ANALYZE WITH ELECTRON SPIN RESONANCE, COUNT REACTIVE IONS HAKUTO CO., LTD. (JP) 2004-05-25 US claimed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US claimed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US claimed
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP claimed
US-20020048820-A1 Method for measuring concentration of stable free radical compound HAKUTO CO., LTD. 2002-04-25 US claimed
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US claimed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 APLNR 2871/4885CYP2C19 1559/4885CYP1A2 1328/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 APLNR 2871/4885CYP2C19 1559/4885CYP1A2 1328/4885
US-20260008751-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF NFE2L2, NQO1, NOS3 APLNR 3586/4885CYP2C19 974/4885CYP1A2 448/4885
US-12110271-B2 Manufacturing method for 4-methoxypyrrole derivatives COMT, TH, HPD APLNR 4804/4885CYP2C19 53/4885CYP1A2 26/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 APLNR 4481/4885CYP2C19 784/4885CYP1A2 183/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 APLNR 3664/4885CYP2C19 789/4885CYP1A2 364/4885

“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.