SCHEMBL4454647

SCHEMBL4454647

COCCOCCOCC(=O)c1ccc(OCCOCCOC)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
THRA P10827 1/20 0.50
RARB P10826 1/20 0.49
CTNNB1 P35222 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4447937 0.98 MAPT (0.54) MAPTTHRARARBCTNNB1RAB9A
SCHEMBL7404631 0.87 MAPT (0.53) MAPTTHRARARBCTNNB1RAB9A
SCHEMBL2855827 0.85 MAPT (0.58) MAPTTHRARARBRAB9AL3MBTL1
SCHEMBL20574599 0.85 MAPT (0.58) MAPTTHRARARBRAB9AL3MBTL1
SCHEMBL841978 0.83 ESR2 (0.50) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL13448825 0.83 RARB (0.68) MAPTRARBRAB9ANPC1SMN1; SMN2
SCHEMBL15562010 0.83 RARB (0.68) MAPTRARBRAB9ANPC1SMN1; SMN2
SCHEMBL13894709 0.83 L3MBTL1 (0.68) MAPTRARBRAB9AL3MBTL1ALDH1A1
SCHEMBL9019628 0.83 RARB (0.68) MAPTRARBRAB9ANPC1SMN1; SMN2
SCHEMBL4445351 0.83 L3MBTL1 (0.68) MAPTRARBRAB9AL3MBTL1ALDH1A1

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 3 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-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US 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 MAPT 3633/4885THRA 4624/4885RARB 2697/4885

“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.