SCHEMBL2582649

SCHEMBL2582649

OCC1CCCC(CO)C(C2CCCCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
GBA1 P04062 1/20 0.32
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL2569726 0.98 CYP2D6 (0.36) CYP2D6CYP1A2ESR1ESR2CYP3A4
SCHEMBL14626815 0.86 CYP2D6 (0.38) CYP2D6CYP1A2ESR1ESR2CYP3A4
SCHEMBL13021351 0.83 CYP1A2 (0.44) CYP2D6CYP1A2TDP1PABPC1APOBEC3A
SCHEMBL7735125 0.83 CYP1A2 (0.49) CYP2D6CYP1A2TDP1PABPC1APOBEC3A
SCHEMBL2379725 0.83 CYP1A2 (0.49) CYP2D6CYP1A2TDP1PABPC1APOBEC3A
SCHEMBL899386 0.82 CYP1A2 (0.33) CYP2D6CYP1A2
SCHEMBL23815709 0.79 CYP1A2 (0.35) CYP2D6CYP1A2
SCHEMBL8369196 0.78 CYP1A2 (0.33) CYP2D6CYP1A2
SCHEMBL8911086 0.76 TDP1 (0.43) CYP2D6ESR1ESR2CYP3A4CYP2C9
SCHEMBL4890514 0.76 ESR1 (0.43) CYP2D6CYP1A2ESR1ESR2CYP3A4

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
EP-1637526-B1 CURABLE POLYCYCLIC COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF TOKUYAMA CORP (JP) 2011-11-09 EP disclosed
US-7754903-B2 adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition TOKUYAMA CORPORATION (JP) 2010-07-13 US disclosed
US-20060252911-A1 adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition TOKYUYAMA CORPORATION (JP) 2006-11-09 US disclosed
EP-1637526-A1 CURABLE POLYCYCLIC COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF TOKUYAMA CORPORATION (JP) 2006-03-22 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-20060252911-A1 adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition PFN1, FSCN1, PFDN1 CYP2D6 498/4885CYP1A2 597/4885ESR1 585/4885

“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.