SCHEMBL4456979

SCHEMBL4456979

CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)C(OCC(C)Cc2ccc(C(C)(C)C)cc2)OCC(C)Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PPARA Q07869 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 2/20 0.45
RARB P10826 3/20 0.43
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
ACACB O00763 1/20 0.42
SLC2A1 P11166 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL13754141 0.93 NR4A2 (0.44) NR4A2RXRARXRBACACBEPHX2
SCHEMBL13754142 0.88 ACACB (0.45) NR4A2RXRARXRBACACBEPHX2
SCHEMBL13754138 0.84 NR1H4 (0.52) NR4A2RXRARXRBSLC2A1EPHX2
SCHEMBL13754136 0.80 ESRRG (0.45) TP53TSHRNR4A2RXRARXRB
SCHEMBL13754176 0.79 ESRRG (0.44) PPARGNR4A2EPHX2NR1H4
SCHEMBL4445520 0.79 MEN1 (0.41) TP53TSHRACACBNR1H4
SCHEMBL13754143 0.78 NR1H4 (0.51) TP53TSHRNR4A2RXRARXRB
SCHEMBL11359772 0.78 HDAC1 (0.50) TSHRNR4A2RXRARXRBSLC2A1
SCHEMBL13754149 0.78 TP53 (0.50) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL13754134 0.77 PIN1 (0.40) NR4A2RXRARXRBACACBNR1H4

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 PPARG 831/4885PPARA 693/4885TP53 3012/4885

“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.