SCHEMBL1229062

SCHEMBL1229062

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD11B1 P28845 1/20 0.32
RAB9A P51151 2/20 0.31
NAAA Q02083 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL1229066 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EPKMCES2CES1
SCHEMBL5278699 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EPKMHSD17B10MEN1
SCHEMBL16329447 0.81 RAB9A (0.33) ALDH1A1KDM4EPKMCES2CES1
SCHEMBL20389485 0.80 CES2 (0.35) ALDH1A1KDM4ECES2CES1HSD17B10
SCHEMBL7998148 0.79
SCHEMBL5081272 0.79 RAB9A (0.32) ALDH1A1KDM4EPKMRAB9A
SCHEMBL5081270 0.79 RAB9A (0.32) ALDH1A1KDM4EPKMRAB9A
SCHEMBL30754357 0.79 CES2 (0.36) ALDH1A1KDM4ECES2CES1HSD17B10
SCHEMBL621700 0.79 CES2 (0.36) ALDH1A1KDM4ECES2CES1HSD17B10
SCHEMBL621701 0.79 CES2 (0.36) ALDH1A1KDM4ECES2CES1HSD17B10

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 15 patents. 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-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 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 (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-20060014663-A1 Cyclooct-(en-)yl derivatives for use as fragrances ENY2, FPR1, CNR1 ALDH1A1 379/4885KDM4E 1111/4885PKM 3283/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 ALDH1A1 379/4885KDM4E 1111/4885PKM 3283/4885

“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.