SCHEMBL113792

SCHEMBL113792

Cc1cc(C)c(CC(C)C(C)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.37
HRH3 Q9Y5N1 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
NR3C1 P04150 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
TP53 P04637 1/20 0.31
XIAP P98170 1/20 0.31

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
SCHEMBL1995772 0.84 NOS2 (0.47) NOS2HRH3CYP11B1CYP11B2MAPT
SCHEMBL8407004 0.81 HRH3 (0.36) NOS2HRH3CYP11B1CYP11B2MAPT
SCHEMBL8388464 0.78 NOS2 (0.42) NOS2HRH3CYP11B1CYP11B2MAPT
SCHEMBL13021415 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL13021414 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL9632305 0.74 TRPA1 (0.41) NOS2ALOX15ALOX12CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL31545415 0.73
SCHEMBL12471861 0.72 XIAP (0.35) MAPTKDM4EALDH1A1LMNANR3C1
SCHEMBL114247 0.72 KDM4E (0.44) KDM4EALDH1A1NR3C1SLC6A2SLC6A4
SCHEMBL111328 0.71 HRH3 (0.41) NOS2HRH3CYP11B1CYP11B2MAPT

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 NOS2 838/4885HRH3 363/4885ALOX15 2/4885

“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.