SCHEMBL4085598

SCHEMBL4085598

COc1cc(C)ccc1OC(=O)CCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TOP2A P11388 1/20 0.41
AKR1C3 P42330 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
SCHEMBL15558828 0.92 MAPT (0.48) ABL1RIN1MAPTHSD17B10L3MBTL1
SCHEMBL4085193 0.84 ALOX15 (0.55) ACHEABL1RIN1MAPTHSD17B10
SCHEMBL4085618 0.84 ALOX15 (0.54) ACHEABL1RIN1MAPTHSD17B10
SCHEMBL15557601 0.83 ALOX15 (0.49) ABL1RIN1MAPTHSD17B10L3MBTL1
SCHEMBL4085034 0.82 TOP2A (0.56) ACHEABL1RIN1MAPTHSD17B10
SCHEMBL15558237 0.82 ALOX15 (0.51) ABL1RIN1MAPTHSD17B10L3MBTL1
SCHEMBL13765408 0.81 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL4084211 0.81 ACHE (0.57) ACHEABL1RIN1MAPTHSD17B10
SCHEMBL4095958 0.81 KMT2A (0.52) MAPTHSD17B10L3MBTL1ALDH1A1HTT
SCHEMBL4090515 0.81 TOP2A (0.62) ACHEABL1RIN1MAPTHSD17B10

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.