SCHEMBL4079499

SCHEMBL4079499

CCCC(C)C(=O)Oc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HTT P42858 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 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
SCHEMBL15548622 0.93 TSHR (0.50) TSHRKMT2AALDH1A1L3MBTL1POLB
SCHEMBL17237528 0.88 TSHR (0.46) TSHRKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15547805 0.87 PTGS2 (0.49) TSHRKMT2AALDH1A1KDM4ELMNA
SCHEMBL15546830 0.87 TSHR (0.46) TSHRKMT2AMAPTALDH1A1POLB
SCHEMBL4085152 0.87 KMT2A (0.49) TSHRKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15548746 0.86 ALOX15 (0.49) TSHRKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4084312 0.84 TDP1 (0.49) TSHRKMT2AALDH1A1L3MBTL1POLB
SCHEMBL15547130 0.83 CYP3A4 (0.49) TSHRKMT2AALDH1A1L3MBTL1POLB
SCHEMBL15548099 0.83 KDM4E (0.58) TSHRKMT2AALDH1A1L3MBTL1POLB
SCHEMBL16672991 0.83 TSHR (0.48) TSHRKMT2AMAPTALDH1A1L3MBTL1

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
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 TSHR 4345/4885KMT2A 1234/4885MAPT 4717/4885

“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.