SCHEMBL6062347

SCHEMBL6062347

CC(C)Cc1ccc(Oc2ccccc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
PTGS1 P23219 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MCL1 Q07820 2/20 0.42
BCL2L1 Q07817 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
BCL2 P10415 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL7449929 0.87 GABRA1 (0.53) LTA4HNR1H2BAXPTGS1PPARG
SCHEMBL6061834 0.84 TYR (0.47) LTA4HNR1H2BAXPTGS1MCL1
SCHEMBL12806640 0.81 LTA4H (0.53) LTA4HNR1H2BAXALDH1A1ALOX12
SCHEMBL13719038 0.81 LTA4H (0.41) LTA4HPTGS1PPARGPPARDPPARA
SCHEMBL17965863 0.80 GAA (0.56) GABRA1GABRB2ALDH1A1
SCHEMBL13719403 0.79 TSHR (0.48) LTA4HPPARGPPARDPPARAALDH1A1
SCHEMBL5209521 0.79 LTA4H (0.50) LTA4HNR1H2BAXMAPTCAMK2A
SCHEMBL1581538 0.78 GABRA1 (0.61) PPARGPPARDPPARAGABRA1GABRB2
SCHEMBL10269372 0.77 LTA4H (0.44) LTA4HPTGS1PPARGPPARDPPARA
SCHEMBL7445377 0.77 MAOB (0.44) LTA4HPTGS1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003002078-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002081-A1 COMPOSITION COMPRISING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (FR) 2003-01-09 WO claimed
WO-2003002079-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
US-20120328541-A1 Anti-radical agents BASCHONG WERNER (CH) 2012-12-27 US disclosed
US-20120328541-A1 Anti-radical agents BASCHONG WERNER (CH) 2012-12-27 US disclosed
EP-1827406-B1 ANTI-RADICAL AGENTS BASF SE (DE) 2010-07-28 EP disclosed
US-20080305055-A1 Anti-Radical Agents CIBA CORPORATION 2008-12-11 US disclosed
US-20080305055-A1 Anti-Radical Agents CIBA CORPORATION 2008-12-11 US disclosed
EP-1053989-B1 Hydroxydiphenyl ether compounds CIBA SC HOLDING AG (CH) 2007-07-25 EP disclosed
US-7105577-B2 for finishing of undyed and dyed or printed fibre materials; treatment of skin, mucous membrane or hair, hard surfaces, oral care; detergent CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-12 US disclosed
US-20050203179-A1 Especially suitable for inhibiting the development of body odour in men CIBA SPECIALTY CHEMICALS CORP. 2005-09-15 US disclosed
EP-1494640-A1 USE OF HYDROXYDIPHENYL ETHER DERIVATIVES AS ARYLSULFATASE- INHIBITORS IN DEODORANTS AND ANTIPERSPIRANTS Ciba SC Holding AG (CH) 2005-01-12 EP disclosed
WO-2003086338-A1 USE OF HYDROXYDIPHENYL ETHER DERIVATIVES AS ARYLSULFATASE- INHIBITORS IN DEODORANTS AND ANTIPERSPIRANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-10-23 WO disclosed
WO-2003002081-A1 COMPOSITION COMPRISING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002078-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002079-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO disclosed
WO-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (FR) 2003-01-09 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 (3 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-20050203179-A1 Especially suitable for inhibiting the development of body odour in men SRD5A1, SRD5A2, PON1 LTA4H 312/4885NR1H2 613/4885BAX 3159/4885
US-20120328541-A1 Anti-radical agents NOS3, GSTO1, TXN2 LTA4H 577/4885NR1H2 782/4885BAX 141/4885
US-20080305055-A1 Anti-Radical Agents NOS3, GSTO1, PTGS1 LTA4H 427/4885NR1H2 978/4885BAX 255/4885

“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.