SCHEMBL4926646

SCHEMBL4926646

CCCCCCC/C=C(\C(N)=O)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.55
FAAH O00519 5/20 0.49
SOAT1 P35610 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.41
CNR1 P21554 1/20 0.39
EPHX1 P07099 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4926648 1.00 EP300 (0.55) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL21378215 0.89 EP300 (0.62) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL4926705 0.89 EP300 (0.62) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL16041820 0.89 EP300 (0.62) EP300FAAHCYP1A2CYP2C19KMT2A
SCHEMBL7149033 0.87 EP300 (0.59) EP300FAAHCYP1A2CYP2C19EPHX1
SCHEMBL10500832 0.85 EP300 (0.67) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL8995719 0.85 EP300 (0.53) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL8995695 0.85 EP300 (0.53) EP300FAAHSOAT1CYP1A2CYP2C19
SCHEMBL8099809 0.82 EP300 (0.53) EP300FAAHCYP2C19CYP3A4EPHX1
SCHEMBL22227520 0.82 EP300 (0.69) EP300CYP1A2CYP2C19GMNNUSP2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US claimed
EP-1838278-A1 2-C-SUBSTITUTED PROPANE-1,3-DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR Givaudan SA (CH) 2007-10-03 EP claimed
WO-2006076821-A1 2 -C-SUBSTITUTED PROPANE-1, 3 -DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR GIVAUDAN SA (CH) 2006-07-27 WO claimed
US-9585362-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2017-03-07 US disclosed
US-9585362-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2017-03-07 US disclosed
US-20160286753-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2016-10-06 US disclosed
US-20160286753-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2016-10-06 US disclosed
US-9447364-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2016-09-20 US disclosed
US-9447364-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2016-09-20 US disclosed
US-20150247109-A1 FRAGRANCE COMPOUNDS Givaudan, S.A. (CH) 2015-09-03 US disclosed
US-20150247109-A1 FRAGRANCE COMPOUNDS Givaudan, S.A. (CH) 2015-09-03 US disclosed
EP-2032516-B1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2012-09-26 EP disclosed
US-20090202464-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2009-08-13 US disclosed
US-20090202464-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2009-08-13 US disclosed
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US disclosed
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US disclosed
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US disclosed
WO-2007143873-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-12-21 WO disclosed
EP-1838278-A1 2-C-SUBSTITUTED PROPANE-1,3-DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR Givaudan SA (CH) 2007-10-03 EP disclosed
WO-2006076821-A1 2 -C-SUBSTITUTED PROPANE-1, 3 -DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR GIVAUDAN SA (CH) 2006-07-27 WO 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-20090202464-A1 Fragrance Compounds OR10J3, OR51E2, TAS2R5 EP300 929/4885FAAH 1234/4885SOAT1 507/4885
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour TYR, MAL2, ACMSD EP300 2098/4885FAAH 1305/4885SOAT1 791/4885

“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.