SCHEMBL114265

SCHEMBL114265

Cc1ccc(CCC(C)O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT3 P40763 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CNR1 P21554 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PSMB8 P28062 2/20 0.36
PSMB5 P28074 2/20 0.36
KCNH2 Q12809 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL113464 0.87 IGF1R (0.40) TYRCNR1SKP2
SCHEMBL8498153 0.85 ESR1 (0.57) TYRLMNACNR1ESR1ESR2
SCHEMBL18926474 0.83 MMP1 (0.40) LMNASMN1; SMN2MMP1MMP2MMP3
SCHEMBL29027711 0.83 KCNH2 (0.44) LMNASMN1; SMN2CNR1KCNH2PTGS2
SCHEMBL16973527 0.80 SLC6A2 (0.43) LMNASMN1; SMN2MMP1MMP2MMP3
SCHEMBL29027781 0.79 OPRM1 (0.41) HRH3
SCHEMBL5312432 0.78 CNR1 (0.37) LMNASMN1; SMN2STAT3MMP1MMP2
SCHEMBL11052107 0.78 STAT3 (0.35) LMNASMN1; SMN2STAT3MMP1MMP2
SCHEMBL112277 0.78 SKP2 (0.39) MMP1MMP2MMP3CNR1SKP2
SCHEMBL311370 0.78 PTGS1 (0.45) LMNACNR1ESR1ESR2PTGS1

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 TYR 251/4885LMNA 3689/4885SMN1; SMN2 3775/4885

“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.