SCHEMBL5839397

SCHEMBL5839397

Cc1c(C)c2c(c(C)c1O)C(=NO)CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 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
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.31

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
SCHEMBL5839395 1.00 LMNA (0.35) LMNAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL5266955 0.83 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267635 0.83 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267636 0.83 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4473237 0.81 PTGS1 (0.33) LMNAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL5267649 0.77 ALDH1A1 (0.44) LMNAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL21427765 0.77 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6982911 0.72 CYP3A4 (0.50) LMNAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL931513 0.63 PTGS1 (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9542181 0.62 PTGS1 (0.38) LMNAPTGS1PTGS2CYP1A2CYP3A4

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 LMNA 1688/4885PTGS1 316/4885PTGS2 275/4885

“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.