SCHEMBL5838490

SCHEMBL5838490

CCCCCCC1(C)CC(NC(=O)CBr)c2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.36
NR1I2 O75469 2/20 0.36
CYP4F2 P78329 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
GSTP1 P09211 1/20 0.34
TTPA P49638 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
PSEN1 P49768 3/20 0.32
CYP3A4 P08684 1/20 0.32
PTPN1 P18031 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
SCHEMBL5839617 0.89 CYP4F2 (0.35) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL5839654 0.82 PTGS1 (0.37) ALOX5NR1I2CYP3A4
SCHEMBL5838752 0.77 MAPT (0.40) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL7046202 0.76 ALOX5 (0.36) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL6677365 0.75 ALOX5 (0.34) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL6681011 0.73 ALOX5 (0.36) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL5839402 0.73 CYP3A4 (0.34) ALOX5MAPTLMNACYP3A4
Methylamine SCHEMBL27904384 0.69 TTPA (0.62) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL2140164 0.69 MAPT (0.65) ALOX5NR1I2CYP4F2MAPTLMNA
SCHEMBL20024669 0.69 MAPT (0.65) ALOX5NR1I2CYP4F2MAPTLMNA

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 ALOX5 251/4885NR1I2 432/4885CYP4F2 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.