SCHEMBL6679382

SCHEMBL6679382

CC[N+](CC)(NC(C)=O)c1c(O)c(C)c(C)c2c1CCC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 6/20 0.36
NR1I2 O75469 2/20 0.34
CCR5 P51681 1/20 0.34
CAPN1 P07384 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GSTP1 P09211 1/20 0.33
TTPA P49638 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSEN1 P49768 3/20 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
SCHEMBL6677361 0.83 NR1I2 (0.45) ALOX5NR1I2MAPTLMNAMEN1
Apc-100 SCHEMBL29788307 0.70 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL633424 0.70 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13832490 0.69 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14283909 0.69 CYP3A4 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14283899 0.69 CYP3A4 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5771956 0.68 PTGS1 (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5769978 0.67 CYP3A4 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL3134545 0.67 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285831 0.67 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PTGS1 316/4885PTGS2 275/4885CYP1A2 340/4885

“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.