SCHEMBL1230296

SCHEMBL1230296

CC(=O)C1/C=C\CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
EPHX2 P34913 2/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL17696545 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11038805 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11172061 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11172066 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11038803 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1230297 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11038808 1.00 MAPT (0.35) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14434930 0.98 MAPT (0.36) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1785347 0.91
SCHEMBL27626844 0.83 RAB9A (0.33) MAPTRAB9ANPC1SMN1; SMN2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4676880-B2 2011-04-27 JP 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 MAPT 2597/4885RAB9A 4621/4885NPC1 2672/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 MAPT 2597/4885RAB9A 4621/4885NPC1 2672/4885

“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.