SCHEMBL3124540

SCHEMBL3124540

CC(CC=O)CCCC(C)(C)OC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSK P43235 1/20 0.31

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
SCHEMBL12510379 0.86 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4TDP1CTSK
SCHEMBL11818004 0.81 CYP3A4 (0.40) ALDH1A1LMNACYP3A4TDP1
SCHEMBL113867 0.80 CYP3A4 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL20819487 0.80 CYP3A4 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11876408 0.77 CYP3A4 (0.38) ALDH1A1LMNACYP3A4TDP1
SCHEMBL9011557 0.77 CYP3A4 (0.38) ALDH1A1LMNACYP3A4TDP1
SCHEMBL22283429 0.76 CYP1A2 (0.43) ALDH1A1LMNACYP3A4TDP1CTSK
SCHEMBL12044639 0.75 CA1 (0.41) ALDH1A1LMNACTSK
Malonic Acid SCHEMBL10751042 0.75 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11766470 0.75 CYP3A4 (0.36) ALDH1A1LMNACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068206-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2025-04-03 WO claimed
WO-2025125532-A1 PERFUME INGREDIENTS AND COMPOSITIONS CONTAINING THEM GIVAUDAN SA (CH) 2025-06-19 WO disclosed
WO-2025068206-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2025-04-03 WO disclosed
EP-3230245-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2020-06-10 EP disclosed
US-10351797-B2 Enamine and/or aminal fragrance precursors derived from (E/Z)-9-hydroxy-5,9-di-methyldec-4-enal GIVAUDAN SA (CH) 2019-07-16 US disclosed
US-10315976-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-06-11 US disclosed
EP-3230257-B1 ENAMINE AND/OR AMINAL FRAGANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DIMETHYLDEC-4-ENAL GIVAUDAN SA (CH) 2019-04-03 EP disclosed
US-20170362533-A1 ENAMINE AND/OR AMINAL FRAGRANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DI-METHYLDEC-4-ENAL GIVAUDAN S.A. (CH) 2017-12-21 US disclosed
EP-3230245-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS Givaudan SA (CH) 2017-10-18 EP disclosed
EP-3230257-A1 ENAMINE AND/OR AMINAL FRAGANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DIMETHYLDEC-4-ENAL Givaudan SA (CH) 2017-10-18 EP disclosed
WO-2016091894-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-06-16 WO disclosed
WO-2016091895-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2016-06-16 WO disclosed
US-20150307432-A1 Improvements In or Relating to Organic Compounds GIVAUDAN S.A. (CH) 2015-10-29 US disclosed
EP-2920139-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2015-09-23 EP disclosed
WO-2014198709-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-18 WO disclosed
EP-2172118-A2 Fluid compositions comprising polyphenols and methods for making and packaging the same IdeaMed LLC (US) 2010-04-07 EP disclosed
EP-2035538-A2 FLUID COMPOSITIONS COMPRISING POLYPHENOLS AND METHODS FOR MAKING AND PACKAGING THE SAME IdeaMed LLC (US) 2009-03-18 EP disclosed
US-20080213433-A1 Fluid compositions comprising polyphenols and methods for making and packaging the same ATLA HOLDINGS, LLC 2008-09-04 US disclosed
WO-2007146318-A9 FLUID COMPOSITIONS COMPRISING POLYPHENOLS AND METHODS FOR MAKING AND PACKAGING THE SAME ATLA HOLDINGS LLC (US) 2008-03-13 WO disclosed
WO-2007146318-A2 FLUID COMPOSITIONS COMPRISING POLYPHENOLS AND METHODS FOR MAKING AND PACKAGING THE SAME IDEAMED LLC (US) 2007-12-21 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 (4 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-20170362533-A1 ENAMINE AND/OR AMINAL FRAGRANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DI-METHYLDEC-4-ENAL HNMT, DRD5, H1-5 ALDH1A1 304/4885LMNA 968/4885CYP3A4 443/4885
US-10351797-B2 Enamine and/or aminal fragrance precursors derived from (E/Z)-9-hydroxy-5,9-di-methyldec-4-enal HNMT, DRD5, H1-5 ALDH1A1 304/4885LMNA 968/4885CYP3A4 443/4885
US-20150307432-A1 Improvements In or Relating to Organic Compounds CYP11B2, UGT1A9, CYP11B1 ALDH1A1 69/4885LMNA 1286/4885CYP3A4 38/4885
US-10315976-B2 Organic compounds CYP2C9, UGT1A9, CYP3A4 ALDH1A1 40/4885LMNA 911/4885CYP3A4 3/4885

“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.