SCHEMBL1228534

SCHEMBL1228534

CCC(=O)C1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSD11B1 P28845 1/20 0.44
NAAA Q02083 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
EPHX1 P07099 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR3 O14843 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10272245 1.00 CES2 (0.50) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL13267740 1.00 CES2 (0.50) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL12923059 1.00 CES2 (0.50) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL162772 1.00 CES2 (0.50) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL2128026 0.97
SCHEMBL256032 0.92
Propionaldehyde SCHEMBL11856853 0.89 CES2 (0.41) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL256670 0.89
SCHEMBL10277166 0.88 CES2 (0.39) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL10984628 0.81 CES2 (0.42) CES2CES1HSD11B1NAAAHDAC8

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 13 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
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 CES2 314/4885CES1 1101/4885HSD11B1 720/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 CES2 314/4885CES1 1101/4885HSD11B1 720/4885

“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.