SCHEMBL4083743

SCHEMBL4083743

CCC(C)CC(=O)Oc1ccc(C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.55
ACHE P22303 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL4085193 0.86 ALOX15 (0.55) ACHEABL1RIN1KDM4ETDP1
SCHEMBL4084211 0.83 ACHE (0.57) ACHEABL1RIN1KDM4ETDP1
SCHEMBL4092051 0.81 ELANE (0.52) ELANEPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL4083746 0.81 POLB (0.50) ACHEABL1RIN1KDM4ETDP1
SCHEMBL4085618 0.80 ALOX15 (0.54) ACHEABL1RIN1KDM4ETDP1
SCHEMBL13765410 0.79 ACHE (0.52) ACHEABL1RIN1KDM4ETDP1
SCHEMBL4085598 0.78 ACHE (0.50) ACHEABL1RIN1KDM4ETDP1
SCHEMBL4085034 0.78 TOP2A (0.56) ACHEABL1RIN1KDM4ETDP1
SCHEMBL15093413 0.77 GAA (0.53) ACHETDP1ALDH1A1HTTGAA
SCHEMBL4090515 0.77 TOP2A (0.62) ACHEABL1RIN1TDP1POLB

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 8 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
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
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 ELANE 2766/4885ACHE 3270/4885ABL1 2986/4885

“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.