SCHEMBL4080319

SCHEMBL4080319

CCCC(C)C(=O)Oc1ccc(C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB5 P28074 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL4083746 0.88 POLB (0.50) ACHEABL1RIN1KDM4EL3MBTL1
SCHEMBL4080559 0.82 ALDH1A1 (0.55) KDM4ETDP1POLBTSHRALDH1A1
SCHEMBL4079499 0.82 TSHR (0.56) TAS1R3TAS1R1KDM4EL3MBTL1POLB
SCHEMBL4084307 0.82 ACHE (0.57) ACHEABL1RIN1KDM4EL3MBTL1
SCHEMBL13765410 0.81 ACHE (0.52) ACHEABL1RIN1KDM4EL3MBTL1
SCHEMBL4085618 0.79 ALOX15 (0.54) ACHEABL1RIN1KDM4EL3MBTL1
SCHEMBL4084211 0.79 ACHE (0.57) ACHEABL1RIN1KDM4EL3MBTL1
SCHEMBL28502518 0.79 ACHE (0.57) ACHEABL1RIN1L3MBTL1POLB
SCHEMBL15548622 0.78 TSHR (0.50) ACHEKDM4EL3MBTL1TDP1POLB
SCHEMBL29852164 0.77 ACHE (0.55) ACHEABL1RIN1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP claimed
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP disclosed
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US 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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 ACHE 3270/4885ABL1 2986/4885RIN1 1154/4885

“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.