SCHEMBL4456428

SCHEMBL4456428

CCCCCCCCCC(C)COC(OCC(C)CCCCCCCCC)C(=O)c1ccc(OCCOC)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 6/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 1/20 0.46
RARB P10826 3/20 0.44
SLC2A1 P11166 1/20 0.43
PLA2G4A P47712 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13754149 0.92 TP53 (0.50) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL4447823 0.82 ALOX15 (0.38) RARBSLC2A1GAA
SCHEMBL4457275 0.79 TAS1R3 (0.42) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL4457011 0.77 SLC6A4 (0.47) TSHRPLA2G4BTHRATHRB
SCHEMBL13754150 0.76 SMN1; SMN2 (0.42) TP53TSHRPLA2G4BSLC2A1GAA
SCHEMBL4456979 0.75 PPARG (0.47) TP53TSHRPLA2G4BPPARGPPARA
SCHEMBL13754142 0.75 ACACB (0.45)
SCHEMBL13754170 0.74 L3MBTL1 (0.42) SLC2A1
SCHEMBL10616413 0.74 TP53 (0.75) TP53TSHRPLA2G4BPPARGRARB
SCHEMBL10616405 0.74 TP53 (0.75) TP53TSHRPLA2G4BPPARGRARB

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
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 TP53 3012/4885TSHR 4789/4885PLA2G4B 1824/4885

“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.