SCHEMBL4084650

SCHEMBL4084650

COc1ccccc1OC(=O)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MEN1 O00255 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL16756208 0.92 ALOX15 (0.59) MAPTHTTALDH1A1HPGDALOX15
SCHEMBL15548518 0.85 ALOX15 (0.53) MAPTHTTALDH1A1HPGDALOX15
SCHEMBL15548138 0.85 ALOX15 (0.53) HTTALDH1A1HPGDALOX15KMT2A
SCHEMBL4092051 0.84 ELANE (0.52) MAPTHTTALDH1A1HPGDL3MBTL1
SCHEMBL15547573 0.84 ALOX15 (0.51) MAPTHTTALDH1A1HPGDALOX15
SCHEMBL3105452 0.82 MAPT (0.58) MAPTALDH1A1L3MBTL1KMT2APOLB
SCHEMBL3361882 0.82 KMT2A (0.59) MAPTHTTALDH1A1L3MBTL1KMT2A
SCHEMBL4095958 0.82 KMT2A (0.52) MAPTHTTALDH1A1HPGDL3MBTL1
SCHEMBL15548664 0.82 ALOX15 (0.53) MAPTHTTALDH1A1HPGDALOX15
SCHEMBL21598307 0.81 TDP1 (0.54) HTTALDH1A1HPGDALOX15L3MBTL1

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 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 MAPT 4717/4885HTT 2377/4885ALDH1A1 967/4885

“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.