SCHEMBL21044052

SCHEMBL21044052

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cccc[n+]2[O-])CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TGM2 P21980 1/20 0.46
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC6A9 P48067 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATM Q13315 1/20 0.40
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30218417 1.00 ALDH1A1 (0.47) ALDH1A1TGM2CYP2D6CYP2C19CYP3A4
SCHEMBL21043986 0.96 ALDH1A1 (0.54) ALDH1A1CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL30218454 0.96 ALDH1A1 (0.54) ALDH1A1CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL21043980 0.93 TGM2 (0.45) ALDH1A1TGM2KMT2A
SCHEMBL30218418 0.93 TGM2 (0.45) ALDH1A1TGM2KMT2A
SCHEMBL21043996 0.92 SIGMAR1 (0.47) ALDH1A1TGM2CYP2D6CYP2C19CYP3A4
SCHEMBL30218462 0.92 SIGMAR1 (0.47) ALDH1A1TGM2CYP2D6CYP2C19CYP3A4
SCHEMBL21043990 0.85 CNR1 (0.38) ALDH1A1TGM2DRD4KDM4E
SCHEMBL30218442 0.85 CNR1 (0.38) ALDH1A1TGM2DRD4KDM4E
SCHEMBL21043964 0.80 SLC6A9 (0.45) ALDH1A1TGM2MAPTMAPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250229198-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I (CZ) 2025-07-17 US claimed
US-20230227942-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE TECHNOLOGIES, LLC 2023-07-20 US claimed
EP-3717466-B1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2022-01-05 EP claimed
US-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2020-09-10 US claimed
EP-3492460-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS, METHOD OF SEPARATION, AND USE THEREOF Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2019-06-05 EP claimed
US-20250229198-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I (CZ) 2025-07-17 US disclosed
US-12268977-B2 Compounds for separation of rare earth elements and s-, p-, d-metals, method of separation, and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR. V.V.I. (CZ) 2025-04-08 US disclosed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed
US-20230227942-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE TECHNOLOGIES, LLC 2023-07-20 US disclosed
EP-3717466-B1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2022-01-05 EP disclosed
EP-3717466-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2020-10-07 EP disclosed
US-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2020-09-10 US disclosed
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 CN disclosed
EP-3492460-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS, METHOD OF SEPARATION, AND USE THEREOF Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2019-06-05 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-20250229198-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF SCO2, SOD3, SLC39A3 ALDH1A1 4085/4885TGM2 4064/4885CYP2D6 2861/4885
US-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF SCLY, SFXN1, PTCD3 ALDH1A1 2634/4885TGM2 1876/4885CYP2D6 2299/4885
US-12268977-B2 Compounds for separation of rare earth elements and s-, p-, d-metals, method of separation, and use thereof SCLY, SFXN1, PTCD3 ALDH1A1 2634/4885TGM2 1876/4885CYP2D6 2299/4885

“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.