SCHEMBL4608613

SCHEMBL4608613

CCC12COC(CC(C)CCC=C(C)C)N1C(CC(C)CCC=C(C)C)OC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
NFE2L2 Q16236 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 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
SCHEMBL4610029 0.89 ALDH1A1 (0.41) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL4919218 0.86 ALOX15 (0.36) ALOX15ALDH1A1TDP1
SCHEMBL4608403 0.83 ALOX15 (0.40) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL4883840 0.71 ALOX15 (0.42) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL3759620 0.70 ALOX15 (0.50) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL6251037 0.70 ALOX15 (0.50) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL15457612 0.70 ALOX15 (0.50) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL14548161 0.70 ALOX15 (0.50) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL5691783 0.68 ALOX15 (0.39) ALOX15ALDH1A1TDP1NFE2L2MEN1
SCHEMBL6254141 0.66 ALOX15 (0.46) ALOX15ALDH1A1TDP1NFE2L2MEN1

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-8466294-B2 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances HENKEL AG & CO. KGAA (DE) 2013-06-18 US disclosed
EP-1976855-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-08-15 EP disclosed
US-20080305063-A1 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances HENKEL AG & CO. KGAA (DE) 2008-12-11 US disclosed
EP-1976855-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2008-10-08 EP disclosed
WO-2007087977-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2007-08-09 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-20080305063-A1 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances AZI2, CUTA, DNMT1 ALOX15 477/4885ALDH1A1 460/4885TDP1 1057/4885

“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.