SCHEMBL110607

SCHEMBL110607

CC(C)c1ccc(CC(C)C(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
IDO1 P14902 2/20 0.47
ESR2 Q92731 2/20 0.47
TRPA1 O75762 4/20 0.44
ACACB O00763 1/20 0.44
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
LMNA P02545 3/20 0.42
CYP2C9 P11712 3/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALOX5 P09917 2/20 0.42
NFKB1 P19838 2/20 0.42
HTR2A P28223 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
ALB P02768 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL8343431 0.89 ESR1 (0.45) ESR1IDO1ESR2TRPA1ACACB
SCHEMBL31435843 0.84 ESR1 (0.48) ESR1IDO1ESR2ACACBPTGS2
SCHEMBL3371824 0.84 ESR1 (0.48) ESR1IDO1ESR2ACACBPTGS2
SCHEMBL3940696 0.82 SLC6A2 (0.59) ESR1IDO1TRPA1ACACBPTGS2
SCHEMBL5696027 0.81 PTGS2 (0.50) ESR1TRPA1PTGS2PTGS1LMNA
SCHEMBL28093662 0.81 IDO1 (0.42) ESR1IDO1ESR2ACACBPTGS2
SCHEMBL11828527 0.81 PTGS1 (0.51) ESR1TRPA1ACACBPTGS2PTGS1
SCHEMBL20644421 0.80 ESR1 (0.45) ESR1IDO1ESR2TRPA1ACACB
Hydrogen Peroxide SCHEMBL9581059 0.79 PTGS1 (0.64) ESR1PTGS2PTGS1LMNACYP2C9
SCHEMBL115445 0.79 TRPA1 (0.45) ESR1IDO1TRPA1ACACBPTGS2

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 ESR1 1765/4885IDO1 491/4885ESR2 1023/4885

“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.