SCHEMBL4085152

SCHEMBL4085152

CCC(C)C(=O)Oc1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
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
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL15548526 0.93 KMT2A (0.49) KMT2AALDH1A1MAPTL3MBTL1POLB
SCHEMBL4079499 0.87 TSHR (0.56) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15547890 0.86 ALOX15 (0.47) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15547525 0.86 PTGS2 (0.47) KMT2AALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL24926171 0.85 GABRA1 (0.48) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL24805097 0.85 GABRA1 (0.48) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL16673227 0.85 L3MBTL1 (0.57) KMT2AALDH1A1MAPTL3MBTL1POLB
SCHEMBL4092042 0.84 ALDH1A1 (0.53) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15548877 0.83 ALOX15 (0.50) KMT2AALDH1A1MAPTL3MBTL1POLB
SCHEMBL16672938 0.83 KMT2A (0.46) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
CN-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 CN disclosed
CN-104250236-B γ hydrocarbon oxygen sulfonylmethyl gamma butyrolactone, the synthetic method of δ hydrocarbon oxygen sulfonylmethyl δ valerolactone 大连大学 2017-03-01 CN disclosed
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-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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-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
CN-1812790-A 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor WYETH CORP (US) 2006-08-02 CN 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 (2 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 1234/4885ALDH1A1 967/4885MAPT 4717/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B KMT2A 1547/4885ALDH1A1 1423/4885MAPT 4703/4885

“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.