SCHEMBL5846302

SCHEMBL5846302

C=CCC1(C)CCc2cc(O)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.60
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
BCHE P06276 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ENTPD5 O75356 2/20 0.38
CETP P11597 1/20 0.38
NR3C1 P04150 2/20 0.38
MAPT P10636 1/20 0.38
PTPN1 P18031 1/20 0.37
PGR P06401 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL7600523 0.83 AKT1 (0.46) AKT1OPRM1OPRD1OPRK1ESR1
SCHEMBL5846290 0.81 HTR2A (0.43) AKT1OPRM1OPRK1BCHEMAPT
SCHEMBL4563229 0.80 AKT1 (0.43) AKT1OPRM1OPRD1OPRK1ESR1
SCHEMBL4194290 0.78 AKT1 (0.60) AKT1BCHEESR1ESR2MAPT
SCHEMBL6837090 0.77 AKT1 (0.62) AKT1BCHEMGAMGAASI
SCHEMBL5773379 0.76 AKT1 (0.64) AKT1BCHEMGAMGAASI
SCHEMBL30513267 0.76 AKT1 (0.56) AKT1ESR1ESR2ENTPD5CETP
SCHEMBL3184205 0.76 AKT1 (0.56) AKT1ESR1ESR2ENTPD5CETP
SCHEMBL11081507 0.75 AKT1 (0.70) AKT1BCHEESR1ESR2
SCHEMBL15441415 0.75 AKT1 (1.00) AKT1

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 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
EP-1301504-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY Uni-Pharma Kleon Tsetis Pharmaceutical Laboratories S.A. (GR) 2003-04-16 EP disclosed
WO-2002004438-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2002-01-17 WO 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 AKT1 1135/4885OPRM1 229/4885OPRD1 82/4885

“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.