SCHEMBL5838409

SCHEMBL5838409

CCCCCCCCCCCCC1(C)CCc2c(c(C)c(C)c(OC)c2C(=O)NCCN(CC)CC)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
GSTO1 P78417 2/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.36
NR1I2 O75469 1/20 0.35
ALOX5 P09917 1/20 0.35
TTPA P49638 1/20 0.34
MAPT P10636 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
SCHEMBL5839584 1.00 PSEN1 (0.41) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5837974 0.89 CYP4F2 (0.44) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5839664 0.89 CYP4F2 (0.44) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5838802 0.85 KDM4E (0.38) PSEN1ALDH1A1TTPA
SCHEMBL5838888 0.82 PSEN1 (0.51) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5839052 0.82 PSEN1 (0.51) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5839337 0.79 PSEN1 (0.42) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL14544421 0.77 PSEN1 (0.50) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL5839590 0.77 ALDH1A1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL5838417 0.77 ALDH1A1 (0.36) MEN1KMT2AALDH1A1

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 PSEN1 4808/4885MEN1 4378/4885KMT2A 4310/4885

“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.