SCHEMBL4083746

SCHEMBL4083746

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ACHE P22303 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PSMB5 P28074 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4080319 0.88 ACHE (0.47) POLBACHEKDM4ETDP1ABL1
SCHEMBL13765410 0.86 ACHE (0.52) POLBACHEKMT2AKDM4ETDP1
SCHEMBL4084307 0.84 ACHE (0.57) POLBACHEAPEX1KMT2AATM
SCHEMBL15447057 0.82 POLB (0.47) POLBAPEX1KMT2AATMKDM4E
SCHEMBL4090675 0.81 ALDH1A1 (0.57) POLBKDM4ETDP1ALDH1A1MAPT
SCHEMBL4085152 0.81 KMT2A (0.49) POLBKMT2AATMKDM4EL3MBTL1
SCHEMBL4084211 0.81 ACHE (0.57) POLBACHEKDM4ETDP1ABL1
SCHEMBL28502518 0.81 ACHE (0.57) POLBACHEKMT2AABL1RIN1
SCHEMBL4083743 0.81 ELANE (0.55) POLBACHEKDM4ETDP1ABL1
SCHEMBL18130855 0.80 ACHE (0.55) POLBACHEKMT2AKDM4EABL1

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 POLB 2130/4885ACHE 3270/4885APEX1 3771/4885

“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.