SCHEMBL5604094

SCHEMBL5604094

C[C@H](CC=O)CCCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL464975 1.00 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL5306831 1.00 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL94185 1.00 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL8433661 0.98 MEN1 (0.38) MEN1KMT2ACYP3A4ALOX15KDM4E
Butane SCHEMBL5165115 0.94 MEN1 (0.36) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL23041060 0.91 MEN1 (0.34) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL3949305 0.89 CYP3A4 (0.35) MEN1KMT2ACYP3A4ALOX15KDM4E
Propionic Acid SCHEMBL1871301 0.89 MEN1 (0.33) MEN1KMT2ACYP3A4ALOX15KDM4E
Pentanal SCHEMBL20856850 0.88 TSHR (0.45) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL8344882 0.87 LMNA (0.38) MEN1KMT2ACYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP claimed
EP-1567013-A1 ACETALS AS INSECT REPELLANT AGENTS Bencsits, Franz (AT) 2005-08-31 EP claimed
WO-2004039158-A1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2004-05-13 WO claimed
EP-3471691-A1 MIXTURE COMPRISING AT LEAST DIHYDRO-5-PENTYL-2(3H)-FURANONE AND 2,4-DIMETHYL-4-PHENYLTETRAHYDROFURAN AND USE THEREOF FOR MASKING UNPLEASANT ODOURS Expressions Parfumees (FR) 2019-04-24 EP disclosed
WO-2017216478-A1 MIXTURE COMPRISING AT LEAST DIHYDRO-5-PENTYL-2(3H)-FURANONE AND 2,4-DIMETHYL-4-PHENYLTETRAHYDROFURAN AND USE THEREOF FOR MASKING UNPLEASANT ODOURS EXPRESSIONS PARFUMEES (FR) 2017-12-21 WO disclosed
US-20170000178-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORP (US) 2017-01-05 US disclosed
US-20160369204-A1 METHOD OF MAKING PERFUMED GOODS THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-8865779-B2 Compounds, compositions, and methods for reducing or eliminating bitter taste CHROMOCELL CORPORATION (US) 2014-10-21 US disclosed
US-8865779-B2 Compounds, compositions, and methods for reducing or eliminating bitter taste CHROMOCELL CORPORATION (US) 2014-10-21 US disclosed
US-20130096209-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-04-18 US disclosed
US-20130096209-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste KRAFT FOODS GLOBAL BRANDS LLC (US) 2013-04-18 US disclosed
WO-2011130705-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2011-10-20 WO disclosed
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP 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-20170000178-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE TAS2R5, TAS2R20, TAS2R10 MEN1 347/4885KMT2A 2441/4885CYP3A4 3973/4885
US-20130096209-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste TAS2R5, TAS2R20, TAS2R10 MEN1 347/4885KMT2A 2441/4885CYP3A4 3973/4885

“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.