SCHEMBL5839664

SCHEMBL5839664

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
ALOX5 P09917 4/20 0.43
NR1I2 O75469 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
TTPA P49638 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSTP1 P09211 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.38
PSEN1 P49768 3/20 0.37
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL5837974 1.00 CYP4F2 (0.44) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL5838409 0.89 PSEN1 (0.41) CYP4F2ALOX5NR1I2MAPTTTPA
SCHEMBL5839584 0.89 PSEN1 (0.41) CYP4F2ALOX5NR1I2MAPTTTPA
SCHEMBL5838791 0.84 KDM4E (0.45) LMNACYP2C19KDM4EALDH1A1
SCHEMBL6803596 0.81 CYP4F2 (0.42) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL6802374 0.81 CYP4F2 (0.42) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL5838259 0.79 PTGS1 (0.41) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL5838132 0.79 PTGS1 (0.41) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL5839574 0.78 CYP4F2 (0.44) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL2140164 0.77 MAPT (0.65) CYP4F2ALOX5NR1I2MAPTLMNA

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 5 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
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 CYP4F2 479/4885ALOX5 251/4885NR1I2 432/4885

“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.