SCHEMBL4090515

SCHEMBL4090515

CCCCCC(=O)Oc1ccc(C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALOX15 P16050 1/20 0.57
ACHE P22303 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RET P07949 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
MGLL Q99685 1/20 0.45

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
SCHEMBL4085034 0.95 TOP2A (0.56) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL15558256 0.92 ALOX15 (0.65) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL15558542 0.91 ALOX15 (0.63) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL15557956 0.91 ALOX15 (0.63) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL4085618 0.89 ALOX15 (0.54) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL15547746 0.88 ALOX15 (0.58) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL11441772 0.84 TSHR (0.51) TOP2AL3MBTL1GAATDP1ALOX15
SCHEMBL2815756 0.83 ALOX15 (0.65) TOP2AALOX15EPHX2
SCHEMBL4084211 0.83 ACHE (0.57) L3MBTL1GAATDP1ALOX15ACHE
Ammonia Solution, Strong SCHEMBL15285855 0.82 ALOX15 (0.54) TOP2ATDP1ALOX15MAPTHSD17B10

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 TOP2A 4495/4885L3MBTL1 3164/4885GAA 2533/4885

“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.