SCHEMBL4610029

SCHEMBL4610029

CC(C)=CCCC(C)CC1OCC2(CO)COC(CC(C)CCC=C(C)C)N12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METAP2 P50579 1/20 0.32
NFE2L2 Q16236 1/20 0.30
MEN1 O00255 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
SCHEMBL4608613 0.89 ALOX15 (0.38) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL4919218 0.86 ALOX15 (0.36) ALDH1A1ALOX15TDP1
SCHEMBL4608403 0.83 ALOX15 (0.40) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL4883840 0.71 ALOX15 (0.42) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL6251037 0.70 ALOX15 (0.50) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL3759620 0.70 ALOX15 (0.50) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL14548161 0.70 ALOX15 (0.50) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL15457612 0.70 ALOX15 (0.50) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL5691783 0.68 ALOX15 (0.39) ALDH1A1ALOX15TDP1LMNANFE2L2
SCHEMBL6252287 0.66 ALOX15 (0.46) ALDH1A1ALOX15TDP1LMNANFE2L2

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
WO-2017205566-A1 OXIDIZED AMINOLIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2017-11-30 WO disclosed
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 ALDH1A1 460/4885ALOX15 477/4885TDP1 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.