SCHEMBL6678052

SCHEMBL6678052

CC[N+](CC)(NC(C)=O)C1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CAPN1 P07384 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6677365 0.83 ALOX5 (0.34) CYP3A4
SCHEMBL5839654 0.68 PTGS1 (0.37) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267073 0.68 MEN1 (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839586 0.68 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6679401 0.67 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839402 0.67 CYP3A4 (0.34) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6679382 0.67 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7050816 0.65 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5268517 0.64 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4479386 0.61 ALOX5 (0.33) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2004-12-23 US claimed
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP claimed
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 PTGS1 316/4885PTGS2 275/4885CYP1A2 340/4885

“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.