SCHEMBL3921184

SCHEMBL3921184

CCCCCCCC=C(C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
EP300 Q09472 1/20 0.47
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 2/20 0.43
CNR2 P34972 2/20 0.43
TBXAS1 P24557 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
NAAA Q02083 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL3921182 1.00 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACES2
SCHEMBL12693571 1.00 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACES2
SCHEMBL7451708 0.84 EP300 (0.64) CES2CES1EP300TDP1FAAH
SCHEMBL11560694 0.84 EP300 (0.64) CES2CES1EP300TDP1FAAH
SCHEMBL11723691 0.83 MAPT (0.59) MAPTALDH1A1MEN1KMT2ACES2
SCHEMBL995359 0.83 MAPT (0.59) MAPTALDH1A1MEN1KMT2ACES2
Ammonia Solution, Strong SCHEMBL28224094 0.81 EP300 (0.59) ALDH1A1CES2CES1EP300FAAH
SCHEMBL11439397 0.81 EP300 (0.60) MAPTALDH1A1MEN1KMT2AEP300
SCHEMBL4914440 0.81 EP300 (0.60) MAPTALDH1A1MEN1KMT2AEP300
SCHEMBL10788834 0.81 EP300 (0.60) MAPTALDH1A1MEN1KMT2AEP300

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
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-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-20150247109-A1 FRAGRANCE COMPOUNDS Givaudan, S.A. (CH) 2015-09-03 US disclosed
US-9057041-B2 Fragrance compounds Givaudan, S.A. (CH) 2015-06-16 US disclosed
US-20140031270-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2014-01-30 US disclosed
US-8575386-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2013-11-05 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
EP-2032516-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2009-03-11 EP 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 MAPT 4604/4885ALDH1A1 477/4885MEN1 2862/4885
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour TYR, MAL2, ACMSD MAPT 3095/4885ALDH1A1 152/4885MEN1 719/4885

“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.