SCHEMBL4251925

SCHEMBL4251925

CC1(C)C=Cc2c(ccc3ccc(O)cc23)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.57
XDH P47989 2/20 0.51
ALOX5 P09917 1/20 0.48
MGAM O43451 1/20 0.47
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
TTR P02766 1/20 0.46
CYP3A4 P08684 1/20 0.46
TYR P14679 1/20 0.46
BCHE P06276 2/20 0.45
ODC1 P11926 2/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
HIF1A Q16665 2/20 0.43
IDO1 P14902 2/20 0.43
SOAT2 O75908 1/20 0.42
PDE4D Q08499 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL4254656 0.89 PTPN1 (0.56) PTPN1XDHALOX5MGAMNPC1
SCHEMBL8723354 0.75 XDH (0.68) PTPN1XDHALOX5NPC1RAB9A
SCHEMBL30140565 0.75 XDH (0.68) PTPN1XDHALOX5NPC1RAB9A
Kanzonol W SCHEMBL29378682 0.74 TYR (0.65) PTPN1XDHALOX5TYRBCHE
SCHEMBL8685142 0.73 MAPT (0.71) PTPN1XDHMGAMNPC1HSP90AA1
SCHEMBL27810630 0.71 PTPN1 (0.52) PTPN1XDHALOX5MGAMNPC1
SCHEMBL31254058 0.71 PTPN1 (0.52) PTPN1XDHALOX5MGAMNPC1
SCHEMBL4251941 0.71 PTPN1 (0.40) PTPN1XDHMGAMNPC1HSP90AA1
SCHEMBL13779564 0.71 PTPN1 (0.40) PTPN1XDHMGAMNPC1HSP90AA1
SCHEMBL24620599 0.69 PTPN1 (0.34) PTPN1

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-20090170926-A1 Antiviral agents MONASH UNIVERISTY (AU) 2009-07-02 US disclosed
US-20090170926-A1 Antiviral agents MONASH UNIVERISTY (AU) 2009-07-02 US disclosed
US-20090170926-A1 Antiviral agents MONASH UNIVERISTY (AU) 2009-07-02 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-20090170926-A1 Antiviral agents SLC10A1, HAVCR2, ZC3HAV1 PTPN1 1233/4885XDH 324/4885ALOX5 1919/4885

“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.