SCHEMBL5839874

SCHEMBL5839874

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
SCN4A P35499 1/20 0.38
MC3R P41968 1/20 0.38
HTR3A P46098 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HPGD P15428 3/20 0.37
GAA P10253 3/20 0.37
BLM P54132 1/20 0.37
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 2/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 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
SCHEMBL5839341 0.88 ALDH1A1 (0.36) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL5839630 0.78 PTPN1 (0.36) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL5839030 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SCN3AHPGD
SCHEMBL5839667 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SCN3AHPGD
SCHEMBL5839574 0.76 CYP4F2 (0.44) MAPTLMNAMEN1KMT2A
SCHEMBL5839590 0.70 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HTR3ATSHR
SCHEMBL5838417 0.70 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HTR3ATSHR
SCHEMBL5838134 0.69 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1TSHRPTPN1
SCHEMBL5838266 0.69 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1TSHRPTPN1
SCHEMBL5839056 0.68 SLC6A2 (0.41) ALDH1A1SLC6A2HRH1OPRM1TRPA1

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 51/4885MAPT 4885/4885LMNA 1688/4885

“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.