SCHEMBL2575350

SCHEMBL2575350

C1CCCC(C2CCC(COCC3CO3)CC(COCC3CO3)CC2COCC2CO2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 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
SCHEMBL2570365 0.96 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2575710 0.85 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2575474 0.84 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2570789 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1402645 0.74 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Biphenyl SCHEMBL17667199 0.74 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL7083465 0.74 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL10866205 0.73 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2573311 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5513152 0.72 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1TP53

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 3361/4885SMN1; SMN2 4842/4885ALDH1A1 50/4885

“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.