SCHEMBL4447823

SCHEMBL4447823

COCCOc1ccc(C(=O)C(OCC(C)CCCC(C)CCC=C(C)C)OCC(C)CCCC(C)CCC=C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
ACACB O00763 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RARB P10826 1/20 0.34
ASAH2 Q9NR71 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SLC2A1 P11166 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13754150 0.91 SMN1; SMN2 (0.42) ALOX15L3MBTL1MAPTGAAMAPK1
SCHEMBL4456428 0.82 TP53 (0.47) GAARARBSLC2A1
SCHEMBL4450364 0.79 TP53 (0.47) ALOX15GAARARB
SCHEMBL13754156 0.79 TP53 (0.47) ALOX15GAARARB
SCHEMBL13754147 0.78 ALOX15 (0.48) ALOX15MAPTALDH1A1SLC2A1NFE2L2
SCHEMBL13754149 0.74 TP53 (0.50) L3MBTL1MAPTMAPK1RARBSLC2A1
SCHEMBL15449671 0.73 MAPT (0.57) ALOX15L3MBTL1MAPTGAAMAPK1
SCHEMBL13754159 0.72 ALOX15 (0.51) ALOX15L3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL22283387 0.71 MAPK1 (0.50) ALOX15L3MBTL1MAPK1ALDH1A1RARB
SCHEMBL13754142 0.71 ACACB (0.45) ALOX15L3MBTL1MAPTMAPK1ACACB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 ALOX15 513/4885L3MBTL1 4439/4885MAPT 3633/4885

“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.