SCHEMBL5838752

SCHEMBL5838752

CCCCCCC1(C)CC(N)c2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GSTP1 P09211 1/20 0.40
TTPA P49638 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1I2 O75469 2/20 0.40
ALOX5 P09917 5/20 0.39
CYP4F2 P78329 1/20 0.38
AKT1 P31749 3/20 0.34
PDPK1 O15530 1/20 0.34
PHLPP1 O60346 1/20 0.34
ILK Q13418 1/20 0.34
PTPN1 P18031 2/20 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
SCHEMBL6681011 0.83 ALOX5 (0.36) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL7046202 0.81 ALOX5 (0.36) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL5838490 0.77 ALOX5 (0.36) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL6677365 0.77 ALOX5 (0.34) MAPTLMNAMEN1GSTP1TTPA
Methylamine SCHEMBL27904384 0.75 TTPA (0.62) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL5839617 0.75 CYP4F2 (0.35) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL2140164 0.75 MAPT (0.65) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL13247544 0.75 MAPT (0.65) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL20024669 0.75 MAPT (0.65) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL14521827 0.75 MAPT (0.65) MAPTLMNAMEN1GSTP1TTPA

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 MAPT 4885/4885LMNA 1688/4885MEN1 4378/4885

“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.