SCHEMBL621700

SCHEMBL621700

CC(=O)C1C/C=C\CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HSD11B1 P28845 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD11B2 P80365 1/20 0.31
TSHR P16473 2/20 0.31
MKNK2 Q9HBH9 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30754357 1.00 CES2 (0.36) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL621701 1.00 CES2 (0.36) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL29238077 0.85 CES2 (0.42) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL1137681 0.85
SCHEMBL14789351 0.85
SCHEMBL12216938 0.85
SCHEMBL23113665 0.81 ABAT (0.39) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL22975387 0.81 ABAT (0.39) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL3598427 0.79 CES2 (0.41) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL3598429 0.79 CES2 (0.41) CES2CES1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4676880-B2 2011-04-27 JP claimed
US-7888309-B2 1-Alkanoyl-substituted cyclooctenes having agrestic, natural, and floral, green, woody odor notes; preferably, 1-cyclooct-3-enylethanone, 1-cyclooct-3-enylpropan-1-one, 1-cyclooct-3-enyl-2-methylpropan-1-one; cleaning compounds; personal care; cosmetics; detergents; fabric softeners; shampoos; gels etc. GIVAUDAN SA (CH) 2011-02-15 US claimed
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances GIVAUDAN SA (CH) 2009-12-31 US claimed
EP-1555998-B1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES GIVAUDAN SA (CH) 2009-07-29 EP claimed
JP-2006512470-A 2006-04-13 JP claimed
US-20060014663-A1 Cyclooct-(en-)yl derivatives for use as fragrances GIVAUDAN SA (CH) 2006-01-19 US claimed
EP-1555998-A1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES Givaudan SA (CH) 2005-07-27 EP claimed
WO-2004035017-A1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES GIVAUDAN SA (CH) 2004-04-29 WO claimed
US-20250235136-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-07-24 US disclosed
US-12336820-B2 Methods of preparing/optimizing perfume compositions GIVAUDAN SA (CH) 2025-06-24 US disclosed
EP-3429641-B1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2024-07-03 EP disclosed
EP-3310893-B2 IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2024-02-28 EP disclosed
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-08 US disclosed
WO-2023072719-A1 A FRAGRANCE COMPOSITION COMPRISING ALPHA-GUAIENE GIVAUDAN SA (CH) 2023-05-04 WO disclosed
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances GIVAUDAN SA (CH) 2009-12-31 US disclosed
US-7605118-B2 1-cyclooct-3-enylpropan-1-one; -cyclooct-3-enylpropan-1-ol; perfume, household product, laundry product, body care product or cosmetic GIVAUDAN SA (CH) 2009-10-20 US disclosed
EP-1555998-B1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES GIVAUDAN SA (CH) 2009-07-29 EP disclosed
US-20060014663-A1 Cyclooct-(en-)yl derivatives for use as fragrances GIVAUDAN SA (CH) 2006-01-19 US disclosed
EP-1555998-A1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES Givaudan SA (CH) 2005-07-27 EP disclosed
WO-2004035017-A1 CYCLOOCT-(EN-)YL DERIVATIVES FOR USE AS FRAGRANCES GIVAUDAN SA (CH) 2004-04-29 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 (3 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-20060014663-A1 Cyclooct-(en-)yl derivatives for use as fragrances ENY2, FPR1, CNR1 CES2 314/4885CES1 1101/4885ALDH1A1 379/4885
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AOX1, TYR, OCIAD1 CES2 852/4885CES1 967/4885ALDH1A1 116/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 CES2 314/4885CES1 1101/4885ALDH1A1 379/4885

“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.