SCHEMBL2572895

SCHEMBL2572895

C1OC1COC1CC2CC1CC2OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
HIF1A Q16665 1/20 0.32
GLA P06280 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
SCHEMBL19901752 0.88 ALDH1A1 (0.39) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL12191344 0.88 TSHR (0.32) TSHRALDH1A1
SCHEMBL13439127 0.88 TSHR (0.32) TSHRALDH1A1
SCHEMBL24452970 0.84 ALDH1A1 (0.32) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL19910088 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13237585 0.79 TSHR (0.30) TSHR
SCHEMBL2141255 0.77 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL2571985 0.77 ALDH1A1 (0.34) TSHRALDH1A1MAPK1
SCHEMBL14350899 0.77 TSHR (0.38) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL14517851 0.76 TSHR (0.44) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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 TSHR 3361/4885ALDH1A1 50/4885MAPK1 3127/4885

“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.