SCHEMBL114247

SCHEMBL114247

Cc1ccc(CC(C)C(C)O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
PSMB5 P28074 6/20 0.40
PSMB8 P28062 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PYCR1 P32322 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3634469 0.86 KDM4E (0.45) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL3031236 0.81 KDM4E (0.47) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL27256276 0.79 PSMB5 (0.41) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL10894087 0.78 KDM4E (0.45) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL109392 0.77 ALOX15 (0.38) ALDH1A1
SCHEMBL25916270 0.76 NR3C1 (0.49) KDM4EALDH1A1NR3C1PGRNR3C2
Hydrochloric Acid SCHEMBL3638959 0.76 KDM4E (0.44) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL12375145 0.76 PSMB5 (0.44) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL30735652 0.75 TAAR1 (0.43) KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL110971 0.75 TAAR1 (0.43) KDM4EALDH1A1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651037-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS Symrise GmbH & Co. KG (DE) 2006-05-03 EP claimed
WO-2005004601-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-2424829-B1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2015-01-07 EP disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
US-20090123392-A1 FRAGRANCE ACCORDS TO COMBAT THE PERCEPTION OF BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-05-14 US disclosed
EP-2014273-A1 Use of methyl methyl ether and another ether to provide a feeling of cleanliness and purity Symrise GmbH & Co. KG (DE) 2009-01-14 EP disclosed
EP-1651037-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS Symrise GmbH & Co. KG (DE) 2006-05-03 EP disclosed
WO-2005004601-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS SYMRISE GMBH & CO. KG (DE) 2005-01-20 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 (1 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-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B KDM4E 3894/4885ALDH1A1 123/4885NR3C1 1792/4885

“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.