SCHEMBL5838902

SCHEMBL5838902

CCCCCCC1(C)C=Cc2c(NC(=O)CBr)c(OC)c(C)c(C)c2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.34
ALDH1A1 P00352 1/20 0.33
DNTT P04053 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACE2 Q9BYF1 2/20 0.31
CNR1 P21554 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SLC6A2 P23975 2/20 0.31
HRH1 P35367 1/20 0.31
OPRM1 P35372 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
TRPA1 O75762 1/20 0.30
LDHA P00338 1/20 0.30
SLC6A4 P31645 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL5839636 0.81 SLC6A2 (0.41) PSEN1ALDH1A1ACE2CNR1PDCD1
SCHEMBL5839056 0.81 SLC6A2 (0.41) PSEN1ALDH1A1ACE2CNR1PDCD1
SCHEMBL5839706 0.77 PSEN1 (0.33) PSEN1ALDH1A1ACE2CNR1PDCD1
SCHEMBL5839138 0.77 PSEN1 (0.33) PSEN1ALDH1A1ACE2CNR1PDCD1
SCHEMBL5839590 0.76 ALDH1A1 (0.36) ALDH1A1POLBL3MBTL1
SCHEMBL5838892 0.76 PSEN1 (0.44) PSEN1
SCHEMBL5838496 0.69 PTPN1 (0.37) PSEN1
SCHEMBL5839458 0.69 ALOX5 (0.41) ACE2CNR1PDCD1CD274SLC6A2
SCHEMBL5838872 0.69 ALOX5 (0.41) ACE2CNR1PDCD1CD274SLC6A2
SCHEMBL5839030 0.67 ALDH1A1 (0.38) ALDH1A1L3MBTL1SLC6A2HRH1OPRM1

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 PSEN1 4808/4885ALDH1A1 51/4885DNTT 1879/4885

“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.