SCHEMBL5839879

SCHEMBL5839879

NC(=O)C1CCc2cc(O)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.56
ESR2 Q92731 3/20 0.56
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
DPP4 P27487 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL4193774 0.87 ESR1 (0.56) ESR1ESR2CYP4F2CYP4A11NFKB1
SCHEMBL7290410 0.87 ESR1 (0.56) ESR1ESR2CYP4F2CYP4A11NFKB1
SCHEMBL25824027 0.86 ESR1 (0.55) ESR1ESR2CYP4F2CYP4A11DRD2
SCHEMBL1064265 0.86 CYP4F2 (0.44) ESR1ESR2CYP4F2CYP4A11NFKB1
SCHEMBL4672067 0.84 CYP4F2 (0.45) ESR1ESR2CYP4F2CYP4A11NFKB1
SCHEMBL15447468 0.83 CYP4F2 (0.44) ESR1ESR2CYP4F2CYP4A11DRD2
SCHEMBL26413056 0.83 MLNR (0.50) ESR1ESR2CYP4F2CYP4A11DRD2
SCHEMBL6028281 0.83 CYP4F2 (0.44) ESR1ESR2CYP4F2CYP4A11DRD2
SCHEMBL430182 0.83 CYP4F2 (0.50) ESR1ESR2CYP4F2CYP4A11NFKB1
SCHEMBL29052788 0.82 CYP4F2 (0.53) ESR1ESR2CYP4F2CYP4A11NFKB1

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 ESR1 4095/4885ESR2 1686/4885CYP4F2 479/4885

“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.