SCHEMBL4095958

SCHEMBL4095958

COc1ccccc1OC(=O)CCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL15547394 0.93 ALDH1A1 (0.50) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3361882 0.87 KMT2A (0.59) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL15547133 0.86 ALOX15 (0.47) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL15548532 0.86 ALOX15 (0.53) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL15547699 0.86 PTGS2 (0.47) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL15548403 0.85 HPGD (0.44) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL15547827 0.85 ALOX15 (0.46) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL28936425 0.84 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL5701570 0.84 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL15547779 0.83 KDM4E (0.63) KMT2AMEN1ALDH1A1POLBL3MBTL1

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 KMT2A 1234/4885MAPT 4717/4885MEN1 3519/4885

“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.