SCHEMBL311880

SCHEMBL311880

CCOC(=O)c1cc(OCC)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 2/20 0.47
MAPK1 P28482 1/20 0.47
GABRA1 P14867 8/20 0.47
GABRG2 P18507 8/20 0.47
GABRB3 P28472 8/20 0.47
GABRA5 P31644 8/20 0.47
GABRA3 P34903 8/20 0.47
GABRA2 P47869 8/20 0.47
GABRA4 P48169 7/20 0.47
GABRA6 Q16445 7/20 0.47
GABRP O00591 6/20 0.47
GABRD O14764 6/20 0.47
GABRB1 P18505 6/20 0.47
GABRB2 P47870 6/20 0.47
GABRE P78334 6/20 0.47
GABRG1 Q8N1C3 6/20 0.47

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
SCHEMBL22605750 0.89 NPC1 (0.52) CYP1A2MAPTRAB9ASMN1; SMN2HSP90AA1
SCHEMBL21623015 0.87 AR (0.49) MAPTRAB9ASMN1; SMN2NOS1NOS2
SCHEMBL25002909 0.84 RAB9A (0.49) CYP1A2MAPTRAB9ASMN1; SMN2HSP90AA1
SCHEMBL23327392 0.83 MAPT (0.52) CYP1A2MAPTRAB9ASMN1; SMN2GABRA1
SCHEMBL29930605 0.83 MAPT (0.52) CYP1A2MAPTRAB9ASMN1; SMN2GABRA1
SCHEMBL27028360 0.83 KDM4E (0.46) CYP1A2MAPTRAB9ASMN1; SMN2NOS1
SCHEMBL27639521 0.83 KDM4E (0.52) CYP1A2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL127699 0.83 CYP1A2 (0.53) CYP1A2MAPTRAB9ASMN1; SMN2GABRA1
SCHEMBL7443662 0.82 CYP1A2 (0.46) CYP1A2MAPTRAB9ASMN1; SMN2HSP90AA1
SCHEMBL27028348 0.81 NOS1 (0.45) MAPTRAB9ASMN1; SMN2HSP90AA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2025-04-10 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
EP-4308580-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES Boehringer Ingelheim International GmbH (DE) 2024-01-24 EP disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
WO-2022194924-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-09-22 WO disclosed
EP-1383857-B1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SC HOLDING AG (CH) 2006-05-31 EP disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO disclosed
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air CIBA SPECIALTY CHEMICALS CORP. 2006-01-26 US disclosed
WO-2005068075-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
WO-2005068074-A2 USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE PRYIMIDINE OR S-TRIAZNE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACID AND H2O2 CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
EP-1556468-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
US-20040142843-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2004-07-22 US disclosed
WO-2004039933-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 WO disclosed
EP-1383857-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2004-01-28 EP disclosed
WO-2002088289-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-11-07 WO 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 (5 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-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air COX14, MICOS13, OR10J3 CYP1A2 509/4885MAPT 4366/4885RAB9A 2003/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 CYP1A2 4372/4885MAPT 432/4885RAB9A 3974/4885
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES TYMP, RNGTT, TYMS CYP1A2 4217/4885MAPT 1913/4885RAB9A 4055/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD CYP1A2 3857/4885MAPT 613/4885RAB9A 3916/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 CYP1A2 4372/4885MAPT 432/4885RAB9A 3974/4885

“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.