SCHEMBL5969733

SCHEMBL5969733

O=C([O-])c1ccc(OCc2ccccc2)cc1.[Cs+]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.72
NR4A2 P43354 1/20 0.72
NR4A3 Q92570 1/20 0.72
MAOB P27338 1/20 0.68
PARP10 Q53GL7 1/20 0.68
SRD5A2 P31213 1/20 0.66
PLA2G4B P0C869 1/20 0.62
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
PTPRC P08575 2/20 0.57
PTPN1 P18031 2/20 0.57
PTPN2 P17706 1/20 0.57
FFAR1 O14842 1/20 0.57

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
SCHEMBL11098403 0.97 NR4A1 (0.72) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL3232949 0.84 SRD5A2 (0.90) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL6830467 0.84 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL228477 0.84 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL4059143 0.84 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
Hydrochloric Acid SCHEMBL8544438 0.82 NR4A2 (0.96) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL11603274 0.82 NR4A2 (0.96) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL11603952 0.82 NR4A2 (0.96) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL11273693 0.82 NR4A2 (0.96) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL402300 0.82 SRD5A2 (0.87) NR4A1NR4A2NR4A3MAOBPARP10

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-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG NR4A1 3670/4885NR4A2 3432/4885NR4A3 3141/4885

“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.