SCHEMBL5839030

SCHEMBL5839030

CCCCCCC1(C)C=Cc2c(c(C)c(C)c(O)c2C(=O)NCCN(CC)CC)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SLC6A2 P23975 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
KDM4E B2RXH2 5/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 2/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL5839667 1.00 ALDH1A1 (0.38) ALDH1A1SLC6A2HRH1OPRM1KDM4E
SCHEMBL5838417 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL5839590 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL5838266 0.78 ALDH1A1 (0.33) ALDH1A1MAPK1LMNASLC22A2SLC22A1
SCHEMBL5838134 0.78 ALDH1A1 (0.33) ALDH1A1MAPK1LMNASLC22A2SLC22A1
SCHEMBL5837974 0.77 CYP4F2 (0.44) ALDH1A1KDM4ELMNACYP2C19MEN1
SCHEMBL5839664 0.77 CYP4F2 (0.44) ALDH1A1KDM4ELMNACYP2C19MEN1
SCHEMBL5839341 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1LMNATSHR
SCHEMBL5839636 0.70 SLC6A2 (0.41) ALDH1A1SLC6A2HRH1OPRM1
SCHEMBL5839056 0.70 SLC6A2 (0.41) ALDH1A1SLC6A2HRH1OPRM1

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 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-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 ALDH1A1 51/4885SLC6A2 1700/4885HRH1 950/4885

“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.