SCHEMBL23790052

SCHEMBL23790052

CC(C)CN(Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSPA5 P11021 1/20 0.45
HTR1A P08908 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
AKR1B1 P15121 1/20 0.39
POLB P06746 2/20 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
SCHEMBL23790269 0.85 AKR1B1 (0.47) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL30408865 0.85 HTR1A (0.42) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL15283002 0.81 HSPA5 (0.59) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL4854148 0.78 PRKCI (0.55) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL1822448 0.78 PRKCI (0.60) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL31038835 0.78 PRKCI (0.60) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL9395374 0.77 HSPA5 (0.54) KDM4EKMT2AHSPA5HTR1AMEN1
SCHEMBL31408706 0.77 HTR1A (0.49) KDM4EKMT2AALDH1A1HSPA5HTR1A
SCHEMBL2483547 0.76 HSPA5 (0.48) HSPA5HTR1ATSHRCYP2D6HIF1A
SCHEMBL23792428 0.75 HTR1A (0.40) MAPTKDM4EGAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054972-A2 RADIONUCLIDE COMPOSITION AND METHOD OF USING SAME FOR DETECTION OF TUMOR CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-03-14 WO disclosed
WO-2023070004-A1 TARGETED RADIOTHERANOSTICS BASED ON POLYAZAMACROCYCLIC, MIXED-DONOR SCAFFOLDS LINKED TO A TARGETING VECTOR THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-04-27 WO disclosed
US-20210276971-A1 TRIAZAMACROCYCLE-DERIVED CHELATOR COMPOSITIONS FOR COORDINATION OF IMAGING AND THERAPY METAL IONS AND METHODS OF USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-09-09 US 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 (1 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-20210276971-A1 TRIAZAMACROCYCLE-DERIVED CHELATOR COMPOSITIONS FOR COORDINATION OF IMAGING AND THERAPY METAL IONS AND METHODS OF USING SAME PAICS, SLC39A14, SLC39A7 MAPT 1025/4885KDM4E 1264/4885GAA 198/4885

“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.