SCHEMBL5839853

SCHEMBL5839853

CCN(CC)CC(=O)Nc1c(O)c(C)c(C)c2c1CCC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
SCN4A P35499 1/20 0.40
MC3R P41968 1/20 0.40
HTR3A P46098 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
BLM P54132 1/20 0.40
RAB9A P51151 1/20 0.38

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
SCHEMBL5838408 0.86 LMNA (0.38) TSHRCYP3A4LMNAMAPTALDH1A1
SCHEMBL5839574 0.84 CYP4F2 (0.44) LMNAMAPTALOX5NR1I2MEN1
SCHEMBL5838791 0.74 KDM4E (0.45) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL5838329 0.71 PSEN1 (0.36) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL5839402 0.71 CYP3A4 (0.34) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL5839337 0.71 PSEN1 (0.42) LMNAMAPTALOX5NR1I2MEN1
SCHEMBL14283909 0.70 CYP3A4 (0.47) TSHRCYP3A4PTGS1PTGS2CYP1A2
Apc-100 SCHEMBL633424 0.70 CYP3A4 (0.64) TSHRCYP3A4PTGS1PTGS2CYP1A2
Apc-100 SCHEMBL29788307 0.70 CYP3A4 (0.64) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL1285320 0.68 CYP3A4 (0.44) TSHRCYP3A4PTGS1PTGS2CYP1A2

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 6 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 claimed
US-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2004-12-23 US claimed
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP claimed
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 TSHR 2133/4885CYP3A4 462/4885PTGS1 316/4885

“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.