SCHEMBL109392

SCHEMBL109392

Cc1cc(C)c(CC(C)C(C)O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.38
ALOX12 P18054 5/20 0.38
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL114247 0.77 KDM4E (0.44) ALDH1A1
SCHEMBL10538190 0.76 PGK1 (0.41) ALOX15ALOX12PGK1PGK2NPSR1
SCHEMBL12557127 0.72 NPSR1 (0.39) ALOX15ALOX12PGK1PGK2NPSR1
SCHEMBL28637024 0.71 ALDH1A1 (0.34) ALOX15PGK1PGK2NPSR1MAPT
SCHEMBL30735652 0.71 TAAR1 (0.43) MAPTALDH1A1
SCHEMBL110971 0.71 TAAR1 (0.43) MAPTALDH1A1
SCHEMBL114708 0.71 TYR (0.48) PGK1PGK2NPSR1MAPTALDH1A1
SCHEMBL29391870 0.71 TYR (0.48) PGK1PGK2NPSR1MAPTALDH1A1
SCHEMBL115023 0.70 ALOX15 (0.48) ALOX15ALOX12MAPTALDH1A1
SCHEMBL113792 0.68 NOS2 (0.37) ALOX15ALOX12MAPTALDH1A1

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 ALOX15 2/4885ALOX12 1/4885PGK1 3393/4885

“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.