SCHEMBL22494053

SCHEMBL22494053

O=C1OC(C2CO2)C(OCc2ccccc2)=C1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.39
MAOB P27338 5/20 0.39
MAOA P21397 4/20 0.39
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PPARG P37231 1/20 0.38
RIN1 Q13671 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 1/20 0.38
LMNA P02545 2/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL14372169 1.00 HPSE (0.39) HPSEMAOBMAOANSD2ABL1
SCHEMBL16950216 0.86 MAOB (0.39) HPSEMAOBMAOANSD2ABL1
SCHEMBL8539003 0.82 TMEM97 (0.37) HPSEMAOBMAOAGRM2LMNA
SCHEMBL10703049 0.82 TMEM97 (0.37) HPSEMAOBMAOAGRM2LMNA
SCHEMBL13013398 0.82 TMEM97 (0.37) HPSEMAOBMAOAGRM2LMNA
SCHEMBL6853632 0.74 TMEM97 (0.36) HPSEMAOBMAOAGRM2LMNA
SCHEMBL13868581 0.73 HPSE (0.39) HPSEMAOBHTTGRM2CTSV
SCHEMBL17068328 0.72 LMNA (0.37) HPSEMAOBMAOAL3MBTL1GRM2
SCHEMBL6855778 0.72 HPSE (0.34) HPSEMAOBHTTGRM2LMNA
SCHEMBL7973244 0.72 HPSE (0.49) HPSEMAOBMAOANSD2ABL1

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
US-20240261443-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES UNIV WAKE FOREST HEALTH SCIENCES (US) 2024-08-08 US disclosed
US-20200316229-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES UNIV WAKE FOREST HEALTH SCIENCES (US) 2020-10-08 US disclosed
US-20200316229-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES UNIV WAKE FOREST HEALTH SCIENCES (US) 2020-10-08 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 (2 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-20200316229-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES ROS1, GPX4, NOX4 HPSE 3061/4885MAOB 376/4885MAOA 531/4885
US-20240261443-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES ROS1, GPX4, NOX4 HPSE 3061/4885MAOB 376/4885MAOA 531/4885

“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.