SCHEMBL23458028

SCHEMBL23458028

COc1ccc(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.78
SENP6 Q9GZR1 4/20 0.78
SENP8 Q96LD8 3/20 0.78
SENP7 Q9BQF6 3/20 0.78
APAF1 O14727 2/20 0.78
NSD2 O96028 2/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
PDE10A Q9Y233 5/20 0.66
TDP2 O95551 1/20 0.63
PPP1CA P62136 1/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
IGFBP3 P17936 1/20 0.50
NPC1 O15118 1/20 0.48

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
SCHEMBL23788289 0.88 CASP3 (0.68) CASP3SENP6SENP8SENP7APAF1
SCHEMBL679695 0.88 CASP3 (1.00) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23458036 0.88 CASP3 (0.76) CASP3SENP6SENP8SENP7APAF1
SCHEMBL29412940 0.88 CASP3 (1.00) CASP3SENP6SENP8SENP7APAF1
SCHEMBL7995165 0.86 CASP3 (0.60) CASP3SENP6SENP8SENP7APAF1
SCHEMBL21690569 0.86 CASP3 (0.77) CASP3SENP6SENP8SENP7APAF1
SCHEMBL21690572 0.84 CASP3 (0.79) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23457757 0.84 CASP3 (0.78) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23457440 0.84 CASP3 (0.74) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23457859 0.82 CASP3 (0.70) CASP3SENP6SENP8SENP7APAF1

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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS HIF1AN, HIF1A, HYOU1 CASP3 804/4885SENP6 3729/4885SENP8 4029/4885

“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.