SCHEMBL621702

SCHEMBL621702

CC(=O)C1=CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.55
HDAC4 P56524 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
CTSK P43235 1/20 0.53
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
GSTP1 P09211 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL11247934 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11041761 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11036333 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL1229915 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11041758 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11041765 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11036334 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11038707 1.00 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL310711 0.98
SCHEMBL720598 0.91

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 21 patents — showing the first 20. 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-10717701-B2 Preparation of cyclic allylic nitro compounds International Flavors & Fragrences Inc. (US) 2020-07-21 US disclosed
US-20200157038-A1 PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-05-21 US disclosed
EP-2421873-B1 ALPHA-SILYL ALCOHOLS POSSESSING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL GIVAUDAN SA (CH) 2014-07-02 EP disclosed
US-8182781-B2 Alpha-silyl alcohols possessing olfactory properties reminiscent of patchouli oil GIVAUDAN S.A. (CH) 2012-05-22 US disclosed
EP-2421873-A1 ALPHA-SILYL ALCOHOLS POSSESSING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL Givaudan SA (CH) 2012-02-29 EP disclosed
US-20120040879-A1 Alpha-Silyl Alcohols Possessing Olfactory Properties Reminiscent Of Patchouli Oil GIVAUDAN SA (CH) 2012-02-16 US disclosed
WO-2010121979-A1 ALPHA-SILYL ALCOHOLS POSSESSING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL GIVAUDAN SA (CH) 2010-10-28 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 (5 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-20120040879-A1 Alpha-Silyl Alcohols Possessing Olfactory Properties Reminiscent Of Patchouli Oil FOXK1, S1PR3, CHRM1 HDAC2 1385/4885HDAC4 3071/4885HDAC8 2938/4885
US-10717701-B2 Preparation of cyclic allylic nitro compounds DHCR7, ADH1C, AKR1C2 HDAC2 4350/4885HDAC4 4104/4885HDAC8 4222/4885
US-20200157038-A1 PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS DHCR7, ADH1C, AKR1C2 HDAC2 4350/4885HDAC4 4104/4885HDAC8 4222/4885
US-20060014663-A1 Cyclooct-(en-)yl derivatives for use as fragrances ENY2, FPR1, CNR1 HDAC2 2531/4885HDAC4 3627/4885HDAC8 3079/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 HDAC2 2531/4885HDAC4 3627/4885HDAC8 3079/4885

“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.