SCHEMBL2573206

SCHEMBL2573206

CCC1(C2CCCCCCC2)CCCCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 2/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SCN1A P35498 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL10836392 1.00 CYP3A4 (0.34) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL2575329 1.00 CYP3A4 (0.34) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL6077946 1.00 CYP3A4 (0.34) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL8731702 1.00 CYP3A4 (0.34) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL18903141 0.98 CYP3A4 (0.33) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL11452500 0.97 CYP3A4 (0.32) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL7734592 0.97 CYP3A4 (0.32) CYP3A4CYP1A2ABCB11LMNACHRM2
SCHEMBL8181847 0.90
SCHEMBL15020531 0.90
Formic Acid SCHEMBL28417270 0.88 CYP3A4 (0.36) CYP3A4CYP1A2ABCB11LMNACHRM2

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 6 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
CN-100413855-C Curable polycyclic compound and process for producing the same TOKUYAMA CORP (JP) 2008-08-27 CN 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
CN-1809548-A Curable polycyclic compound and process for producing the same TOKUYAMA CORP (JP) 2006-07-26 CN 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 CYP3A4 616/4885CYP1A2 597/4885ABCB11 1202/4885

“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.