SCHEMBL4761987

SCHEMBL4761987

CC(CCO)CCC1CCC(C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.38
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CDC25B P30305 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PAX8 Q06710 1/20 0.33
HTT P42858 1/20 0.33
PTPN1 P18031 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4761985 0.81 MAPT (0.37) MAPTALDH1A1ALOX15PTPN1
SCHEMBL6564247 0.80 METAP1 (0.40) MAPTALDH1A1ALOX15PTPN1
SCHEMBL22127323 0.80 MAPT (0.41) MAPTALDH1A1ALOX15PTPN1
SCHEMBL4761984 0.79 MAPT (0.36) MAPTALDH1A1ALOX15PTPN1
SCHEMBL113352 0.79 METAP1 (0.43) MAPTALDH1A1ALOX15PTPN1
SCHEMBL1900277 0.78 LIPA (0.39) LIPAKMT2AMEN1CDC25BPAX8
SCHEMBL7009858 0.78 LIPA (0.46) LIPAKMT2AMEN1CDC25BHTT
SCHEMBL113569 0.76 MAPT (0.44) LIPAMAPTKMT2AMEN1CDC25B
SCHEMBL6086205 0.73
SCHEMBL29035130 0.73 ALDH1A1 (0.41) MAPTALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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

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 LIPA 329/4885MAPT 4829/4885KMT2A 4521/4885

“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.