SCHEMBL1228532

SCHEMBL1228532

CC(=O)CC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 2/20 0.41
ALOX5 P09917 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 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
Cyclohexane SCHEMBL1245819 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
SCHEMBL368048 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
Cyclohexane SCHEMBL7088247 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
SCHEMBL31332587 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
SCHEMBL28568368 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
Cyclohexane SCHEMBL7091110 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
SCHEMBL363901 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
Cyclohexane SCHEMBL1245516 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
Cyclohexane SCHEMBL14673180 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5
Cyclohexane SCHEMBL11035387 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024037712-A1 1-CYCLOOCTYLPROPAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2024-02-22 WO claimed
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
WO-2024037712-A1 1-CYCLOOCTYLPROPAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2024-02-22 WO disclosed
WO-2024037712-A1 1-CYCLOOCTYLPROPAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2024-02-22 WO disclosed
CN-110590525-B Process for preparing (cyclo) alkyl acetone 南开大学 2022-09-27 CN disclosed
CN-110590525-A Process for preparing (cyclo) alkyl acetone 南开大学 2019-12-20 CN disclosed
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 EPHX1 401/4885HPGD 464/4885KMT2A 2567/4885
US-20090325836-A1 Cyclooct-(EN-)YL Derivatives for Use as Fragrances ENY2, FPR1, CNR1 EPHX1 401/4885HPGD 464/4885KMT2A 2567/4885

“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.