SCHEMBL23733165

SCHEMBL23733165

O=C1C=C(OC(=O)C(=O)Oc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23733144 0.86 CA1 (0.57) CA1CA9
SCHEMBL23732626 0.81 CA1 (0.52) CA1CA9
SCHEMBL23733169 0.75 SMN1; SMN2 (0.43) SMN1; SMN2NFKB1NFKB2RELAL3MBTL1
Diphenyl Ethanedioat SCHEMBL43364 0.74 TDP1 (0.54) L3MBTL1ATMTDP1ALDH1A1MAPT
Diphenyl Ethanedioat SCHEMBL27328178 0.72 TDP1 (0.52) L3MBTL1ATMTDP1ALDH1A1MAPT
SCHEMBL23733167 0.71 SMN1; SMN2 (0.37) SMN1; SMN2NFKB1NFKB2RELAL3MBTL1
Diphenyl Ethanedioat SCHEMBL10797780 0.70 TDP1 (0.50) SMN1; SMN2L3MBTL1ATMTDP1ALDH1A1
SCHEMBL28155258 0.68 TDP1 (0.48) SMN1; SMN2L3MBTL1ATMTDP1ALDH1A1
Diphenyl Ethanedioat SCHEMBL27942895 0.68 ELANE (0.53) L3MBTL1ATMTDP1ALDH1A1MAPT
Diphenyl Ethanedioat SCHEMBL7064482 0.67 TDP1 (0.52) CA1CA9SMN1; SMN2L3MBTL1ATM

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 CA1 356/4885CA9 59/4885SMN1; SMN2 262/4885

“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.