SCHEMBL4925328

SCHEMBL4925328

CCCCCCCC=C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CETP P11597 3/20 0.50
EP300 Q09472 1/20 0.50
FAAH O00519 3/20 0.45
EPHX2 P34913 2/20 0.45
MBOAT4 Q96T53 1/20 0.45
LMNA P02545 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 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
SCHEMBL29036481 0.87 CETP (0.49) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL27483298 0.87 CETP (0.49) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28037774 0.87 CETP (0.49) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL20925298 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL5146080 0.82 ITGB3 (0.40) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11201788 0.81 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11201789 0.81 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL8945470 0.81 TSHR (0.43) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL18990498 0.81 TSHR (0.43) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL8897560 0.79 CETP (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1

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 27 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
CN-113444526-A Inhibitor for generation of rancidity in food-derived kitchen waste, composition for deodorizing kitchen waste, and attraction-preventing agent 大日本除虫菊株式会社 2021-09-28 CN disclosed
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
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 ALDH1A1 477/4885TSHR 675/4885CYP3A4 1207/4885
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour TYR, MAL2, ACMSD ALDH1A1 152/4885TSHR 3589/4885CYP3A4 1515/4885

“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.