SCHEMBL23733169

SCHEMBL23733169

O=C1C=C(OC(=O)C(=O)Oc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIPE Q05469 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL23733147 0.84 MAPT (0.34) MAPTHPGDALDH1A1
SCHEMBL23732624 0.81 MAPT (0.36) MAPTHPGDALDH1A1
Diphenyl Ethanedioat SCHEMBL43364 0.78 TDP1 (0.54) MAPTATMTDP1L3MBTL1HPGD
SCHEMBL23732622 0.77 MAPT (0.34) MAPTHPGDALDH1A1
Diphenyl Ethanedioat SCHEMBL27328178 0.76 TDP1 (0.52) MAPTATMTDP1L3MBTL1HPGD
SCHEMBL23733165 0.75 CA1 (0.44) SMN1; SMN2MAPTCHRNA7HTR3ANFKB1
SCHEMBL23733167 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPTCHRNA7HTR3ANFKB1
SCHEMBL419381 0.74 TDP1 (0.50) SMN1; SMN2MAPTATMTDP1L3MBTL1
Diphenyl Ethanedioat SCHEMBL10797780 0.74 TDP1 (0.50) SMN1; SMN2MAPTATMTDP1L3MBTL1
SCHEMBL31196971 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCHRNA7HTR3ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238155-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-08-05 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-20210238155-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS PYGL, HMOX2, MB SMN1; SMN2 262/4885MAPT 1259/4885CHRNA7 1526/4885

“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.