SCHEMBL5838872

SCHEMBL5838872

CCCCCCCCCCCCC1(C)C=Cc2cc(OC)c(C)c(C)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.41
PTGS1 P23219 1/20 0.41
PDCD1 Q15116 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
AKT1 P31749 1/20 0.37
PTGS2 P35354 3/20 0.35
ODC1 P11926 1/20 0.34
TRPA1 O75762 1/20 0.33
LDHA P00338 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 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
SCHEMBL5839458 1.00 ALOX5 (0.41) ALOX5PTGS1PDCD1ACE2CD274
SCHEMBL5839138 0.73 PSEN1 (0.33) PDCD1ACE2CD274TRPA1LDHA
SCHEMBL5839706 0.73 PSEN1 (0.33) PDCD1ACE2CD274TRPA1LDHA
SCHEMBL5839056 0.72 SLC6A2 (0.41) PDCD1ACE2CD274TRPA1LDHA
SCHEMBL5839636 0.72 SLC6A2 (0.41) PDCD1ACE2CD274TRPA1LDHA
SCHEMBL5839319 0.69 AKT1 (0.73) ALOX5AKT1
SCHEMBL5838865 0.69 AKT1 (0.73) ALOX5AKT1
SCHEMBL11014320 0.67 ODC1 (0.48) ODC1
SCHEMBL10508118 0.64 TLR3 (0.48)
SCHEMBL546060 0.64 TLR3 (0.48)

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-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

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 ALOX5 251/4885PTGS1 316/4885PDCD1 2591/4885

“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.