SCHEMBL5839784

SCHEMBL5839784

COc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
HPGD P15428 1/20 0.36
PSEN1 P49768 5/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PTPRF P10586 1/20 0.34
HSP90AA1 P07900 2/20 0.33
MALT1 Q9UDY8 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL1785662 0.85 PSEN1 (0.36) PDE4DHPGDPSEN1PTGS1PTGS2
SCHEMBL12434165 0.83 PTGS1 (0.40) PDE4DHPGDPSEN1PTGS1PTGS2
SCHEMBL633489 0.79 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839133 0.78 PSEN1 (0.44) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL5839697 0.78 PSEN1 (0.44) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL5838918 0.78 PDE4D (0.36) PDE4DHPGDPSEN1PTGS1PTGS2
SCHEMBL5838842 0.76 PTGS1 (0.42) PDE4DPSEN1PTGS1PTGS2CYP1A2
SCHEMBL5839613 0.75 TTPA (0.38) PDE4DHPGDPSEN1PTGS1PTGS2
SCHEMBL5772432 0.75 PTGS2 (0.46) PDE4DHPGDPSEN1PTGS1PTGS2
SCHEMBL4257412 0.74 MEN1 (0.66) PSEN1ALOX5MEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115657-B2 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2006-10-03 US disclosed
US-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2004-12-23 US disclosed
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP disclosed
EP-1301504-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY Uni-Pharma Kleon Tsetis Pharmaceutical Laboratories S.A. (GR) 2003-04-16 EP disclosed
WO-2002004438-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2002-01-17 WO 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-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity GPX4, GSR, GPX1 PDE4D 2360/4885HPGD 833/4885PSEN1 4808/4885

“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.