SCHEMBL5463371

SCHEMBL5463371

O=C(O)/C(=C/CC1CCCC1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALOX5 P09917 3/20 0.34
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ANPEP P15144 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
SCHEMBL6574709 0.78 CES2 (0.41) EPHX1CES2CES1HDAC8HDAC6
SCHEMBL800571 0.78 CES2 (0.36) EPHX1CES2CES1HDAC8HDAC6
SCHEMBL990465 0.78 CES2 (0.36) EPHX1CES2CES1HDAC8HDAC6
SCHEMBL1651118 0.76 CES2 (0.39) EPHX1CES2CES1HDAC8HDAC6
SCHEMBL5003950 0.73 CD81 (0.36) ALOX5LMNACYP2D6
SCHEMBL25234936 0.72 LMNA (0.38) EPHX1ALOX5LMNACYP2D6
SCHEMBL464872 0.72 LMNA (0.38) EPHX1ALOX5LMNACYP2D6
SCHEMBL16267791 0.72 LMNA (0.38) EPHX1ALOX5LMNACYP2D6
SCHEMBL9090277 0.72 LMNA (0.38) EPHX1ALOX5LMNACYP2D6
SCHEMBL1770285 0.72 LMNA (0.38) EPHX1ALOX5LMNACYP2D6

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
EP-4204406-A1 ENRICHMENT OF A DIASTEREOMER IN MAGNOLAN Symrise AG (DE) 2023-07-05 EP disclosed
WO-2022042829-A1 ENRICHMENT OF A DIASTEREOMER IN MAGNOLAN SYMRISE AG (DE) 2022-03-03 WO disclosed
WO-2022043089-A1 ENRICHMENT OF A DIASTEREOMER IN MAGNOLAN SYMRISE AG (DE) 2022-03-03 WO disclosed
EP-3167031-A1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2017-05-17 EP disclosed
WO-2016005360-A1 MIXTURES HAVING ENRICHED E-ISOMERS OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2016-01-14 WO disclosed
WO-2016005361-A1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2016-01-14 WO disclosed
US-20070037733-A1 Use of 3-cyclohexenyl-1-propanol as a fragrance SYMRISE GMBH & CO. KG (DE) 2007-02-15 US disclosed
EP-1260572-B1 High-purity cyclopentanone derivatives, process for preparing same, and perfume composition ZEON CORP (JP) 2006-05-03 EP disclosed
US-20050009928-A1 Cyclopentanone derivative ZEON CORPORATION (JP) 2005-01-13 US disclosed
EP-1420005-A1 CYCLOPENTANONE DERIVATIVE Zeon Corporation (JP) 2004-05-19 EP disclosed
US-6653276-B2 A cyclopentanone or cyclopentanol compound having 2,5-dicyclopentylidene substituents, 2,5- dicyclopentyl substituents or 2-cyclopentylidene-5-cyclopentyl substituents; useful as perfume emitting floral fragrance ZEON CORPORATION (JP) 2003-11-25 US disclosed
US-20030012799-A1 High-purity cyclopentane compound having oxygen-containing group, process for preparing same, and perfume composition ZEON CORPORATION (JP) 2003-01-16 US disclosed
EP-1260572-A1 High-purity cyclopentanone derivatives, process for preparing same, and perfume composition Zeon Corporation (JP) 2002-11-27 EP 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-20050009928-A1 Cyclopentanone derivative PTGIS, CYP51A1, TRPA1 EPHX1 1386/4885CES2 278/4885CES1 489/4885
US-20030012799-A1 High-purity cyclopentane compound having oxygen-containing group, process for preparing same, and perfume composition DHPS, DOHH, PORCN EPHX1 1079/4885CES2 580/4885CES1 2387/4885

“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.