SCHEMBL5839624

SCHEMBL5839624

CCCCCCCCCCCCC1(C(=O)O)C=Cc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.36
PTPN1 P18031 2/20 0.35
ALOX5 P09917 5/20 0.35
SLC6A2 P23975 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
NR1I2 O75469 1/20 0.32
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
DNTT P04053 1/20 0.31
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31

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
SCHEMBL5839793 1.00 PSEN1 (0.36) PSEN1PTPN1ALOX5SLC6A2HRH1
SCHEMBL5838134 0.80 ALDH1A1 (0.33) PTPN1ALOX5TSHR
SCHEMBL5839783 0.67 PTGS1 (0.55) PSEN1ALOX5PTGS1PTGS2CYP1A2
SCHEMBL5839056 0.65 SLC6A2 (0.41) PSEN1PTPN1SLC6A2HRH1OPRM1
SCHEMBL5839636 0.65 SLC6A2 (0.41) PSEN1PTPN1SLC6A2HRH1OPRM1
SCHEMBL5839253 0.63 PTPN1 (0.43) PSEN1PTPN1ALOX5PLA2G2APLA2G5
SCHEMBL6443021 0.59 GPR84 (0.43) PTPN1TSHR
SCHEMBL9399534 0.57 GPR84 (0.40) PTPN1TSHR
SCHEMBL20740831 0.57 GPR84 (0.40) PTPN1TSHR
SCHEMBL28198383 0.57 GPR84 (0.40) PTPN1TSHR

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 PSEN1 4808/4885PTPN1 4125/4885ALOX5 251/4885

“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.