SCHEMBL5838802

SCHEMBL5838802

CCN(CC)CCNC(=O)c1c2c(c(C)c(C)c1OC)OC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
TTPA P49638 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PSEN1 P49768 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SHMT2 P34897 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.34
ADRA2A P08913 2/20 0.34
CYP2D6 P10635 2/20 0.34
DRD3 P35462 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
SLC22A1 O15245 1/20 0.34
HTR3B O95264 1/20 0.34

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
SCHEMBL5838791 0.87 KDM4E (0.45) KDM4EKDRPDGFRBKITALDH1A1
SCHEMBL5838409 0.85 PSEN1 (0.41) TTPAPSEN1ALDH1A1
SCHEMBL5839584 0.85 PSEN1 (0.41) TTPAPSEN1ALDH1A1
SCHEMBL5838842 0.76 PTGS1 (0.42) PSEN1CYP1A2PTGS1
SCHEMBL5838408 0.75 LMNA (0.38) TTPAPSEN1ALDH1A1MAPK1LMNA
SCHEMBL5839664 0.73 CYP4F2 (0.44) KDM4ETTPAPSEN1ALDH1A1LMNA
SCHEMBL5837974 0.73 CYP4F2 (0.44) KDM4ETTPAPSEN1ALDH1A1LMNA
SCHEMBL12434165 0.70 PTGS1 (0.40) TTPAPSEN1CYP1A2PTGS1
SCHEMBL5838417 0.70 ALDH1A1 (0.36) KDM4EKDRTMEM97SIGMAR1ALDH1A1
SCHEMBL5839590 0.70 ALDH1A1 (0.36) KDM4EKDRTMEM97SIGMAR1ALDH1A1

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 KDM4E 4543/4885KDR 2952/4885PDGFRB 4661/4885

“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.