SCHEMBL24865993

SCHEMBL24865993

CCCCCOc1cc(C=O)c([N+](=O)[O-])cc1OCCCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
PRKDC P78527 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP19A1 P11511 4/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL30867117 1.00 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28403523 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28403147 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28402997 0.99 MAPT (0.59) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14294326 0.95 MAPT (0.62) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5903503 0.95 ALDH1A1 (0.71) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16067478 0.91 ALDH1A1 (0.69) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14129360 0.90 ALDH1A1 (0.73) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL13299047 0.90 ALDH1A1 (0.73) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28629055 0.87 ALDH1A1 (0.77) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-10-03 US disclosed
EP-4368628-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE Japan Science and Technology Agency (JP) 2024-05-15 EP disclosed
WO-2023282245-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE 国立研究開発法人科学技術振興機構 2023-01-12 WO disclosed
WO-2023282245-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE 国立研究開発法人科学技術振興機構 2023-01-12 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 (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-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate NUDT1, SAMHD1, PNP MAPT 4208/4885ALDH1A1 610/4885KDM4E 4741/4885

“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.