SCHEMBL4084307

SCHEMBL4084307

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
FGFR1 P11362 3/20 0.55
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9589650 0.91 ALOX15 (0.60) ACHEFGFR1ALOX15NPSR1ADRB2
SCHEMBL28502518 0.86 ACHE (0.57) ACHEFGFR1NPSR1ABL1RIN1
SCHEMBL4083746 0.84 POLB (0.50) ACHENPSR1ABL1RIN1POLB
SCHEMBL2565359 0.82 ACHE (0.61) ACHENPSR1ABL1RIN1KMT2A
SCHEMBL30474574 0.82 ACHE (0.61) ACHENPSR1ABL1RIN1KMT2A
SCHEMBL9482145 0.82 NPSR1 (0.52) ALOX15NPSR1ADRB2ADRA2ADRD2
SCHEMBL21483407 0.82 L3MBTL1 (0.51) FGFR1ALOX15NPSR1ADRB2ADRA2A
SCHEMBL31321641 0.82 ALOX15 (0.51) ALOX15NPSR1ADRB2ADRA2ADRD2
SCHEMBL13765410 0.82 ACHE (0.52) ACHENPSR1ABL1RIN1POLB
SCHEMBL28879153 0.82 ACHE (0.65) ACHENPSR1ABL1RIN1POLB

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 9 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
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 3270/4885FGFR1 1509/4885ALOX15 600/4885

“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.