SCHEMBL5013030

SCHEMBL5013030

c1ccc(CNCCN2CCOCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
TSHR P16473 2/20 0.71
ALOX15 P16050 1/20 0.71
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 2/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGDS O60760 1/20 0.49
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
SMARCA2 P51531 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL5024894 0.87 ALDH1A1 (0.76) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL5028870 0.85 ALDH1A1 (0.74) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL31232707 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL5024742 0.83 L3MBTL1 (1.00) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL31232857 0.81 ALDH1A1 (0.67) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL6025900 0.80 KDM4E (0.52) ALDH1A1KDM4ECHRM2POLB
SCHEMBL8263284 0.80 POLB (0.47) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL31232811 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRALOX15KDM4E
SCHEMBL31232859 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRALOX15KDM4E
Hydrochloric Acid SCHEMBL29740742 0.79 KDM4E (0.54) ALDH1A1KDM4ECHRM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456337-B1 USE OF SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KGAA (DE) 2007-01-24 EP claimed
EP-1531193-A2 Method for deoyxgenating water Henkel Kommanditgesellschaft auf Aktien (DE) 2005-05-18 EP claimed
EP-1456337-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP claimed
WO-2003054128-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-11492302-B2 Integrated capture and conversion of CO2 to methane, methanol, or methanol and glycol BATTELLE MEMORIAL INSTITUTE (US) 2022-11-08 US disclosed
US-20210214287-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANE, METHANOL, OR METHANOL AND GLYCOL BATTELLE MEMORIAL INSTITUTE (US) 2021-07-15 US disclosed
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US disclosed
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 US disclosed
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 US disclosed
EP-1819712-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
EP-1456337-B1 USE OF SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KGAA (DE) 2007-01-24 EP disclosed
WO-2006058723-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO disclosed
EP-1531193-A2 Method for deoyxgenating water Henkel Kommanditgesellschaft auf Aktien (DE) 2005-05-18 EP disclosed
EP-1456337-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP disclosed
WO-2003054128-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 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 (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-20210214287-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANE, METHANOL, OR METHANOL AND GLYCOL MSMO1, ADH1C, MCCC2 ALDH1A1 2715/4885L3MBTL1 3548/4885TSHR 4283/4885
US-11492302-B2 Integrated capture and conversion of CO2 to methane, methanol, or methanol and glycol MSMO1, ADH1C, MCCC2 ALDH1A1 2715/4885L3MBTL1 3548/4885TSHR 4283/4885
US-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B ALDH1A1 438/4885L3MBTL1 4256/4885TSHR 2629/4885

“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.