SCHEMBL5839341

SCHEMBL5839341

CCCCCCC1(C)C=Cc2c(NC(=O)CN(CC)CC)c(OC)c(C)c(C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
SCN4A P35499 1/20 0.36
MC3R P41968 1/20 0.36
HTR3A P46098 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PSEN1 P49768 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5838902 0.90 PSEN1 (0.34) ALDH1A1GAAPSEN1DNTTPOLB
SCHEMBL5839874 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL5839590 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HTR3ATSHR
SCHEMBL5838417 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HTR3ATSHR
SCHEMBL5839636 0.78 SLC6A2 (0.41) ALDH1A1PSEN1
SCHEMBL5839056 0.78 SLC6A2 (0.41) ALDH1A1PSEN1
SCHEMBL5839337 0.77 PSEN1 (0.42) LMNAMAPTPSEN1MEN1KMT2A
SCHEMBL5839138 0.75 PSEN1 (0.33) ALDH1A1PSEN1
SCHEMBL5839706 0.75 PSEN1 (0.33) ALDH1A1PSEN1
SCHEMBL5839630 0.70 PTPN1 (0.36) ALDH1A1LMNAMAPTCYP3A4MAPK1

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 ALDH1A1 51/4885LMNA 1688/4885MAPT 4885/4885

“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.