SCHEMBL4451298

SCHEMBL4451298

CC(COC(OCC(C)Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2c(c1)OCO2)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
TAS1R3 Q7RTX0 6/20 0.41
TAS1R1 Q7RTX1 6/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL13754134 0.80 PIN1 (0.40) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL13754166 0.80 MEN1 (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL13754136 0.79 ESRRG (0.45) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL13754138 0.78 NR1H4 (0.52) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL6871792 0.78 ACACB (0.37) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13754143 0.77 NR1H4 (0.51) TAS1R3TAS1R1
SCHEMBL4445520 0.75 MEN1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13754161 0.75 TAS1R3 (0.51) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL13754141 0.74 NR4A2 (0.44) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL13754169 0.74 NR1H4 (0.45) LMNASMN1; SMN2

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 5 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-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 ADRB2 1790/4885ADRB1 1752/4885ADRB3 956/4885

“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.