SCHEMBL6061469

SCHEMBL6061469

CCC(C)c1ccccc1Oc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
NISCH Q9Y2I1 1/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
RORC P51449 1/20 0.39
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6062434 0.84 AR (0.47) TSHRL3MBTL1HTR2ASLC6A4KCNH2
SCHEMBL29960384 0.82 TSHR (0.50) TSHRNISCHKDM4EL3MBTL1HTR2A
SCHEMBL6680297 0.82 TSHR (0.50) TSHRNISCHKDM4EL3MBTL1HTR2A
SCHEMBL7710832 0.79 TSHR (0.57) TSHRNISCHKDM4EL3MBTL1HTR2A
SCHEMBL8693307 0.77 CYP3A4 (0.48) L3MBTL1CYP3A4CHRNB2CHRNA4HTT
SCHEMBL984038 0.76 TSHR (0.67) TSHRNISCHKDM4EL3MBTL1RORC
SCHEMBL765607 0.75 HTR2A (0.43) TSHRNISCHKDM4EL3MBTL1HTR2A
SCHEMBL6061477 0.73 HDAC4 (0.55) TSHRCASP1ALDH1A1
SCHEMBL11826075 0.73 LTA4H (0.50) TSHRCYP3A4ALDH1A1
SCHEMBL26193516 0.73 AR (0.55) HTR2ASLC6A4KCNH2ALDH1A1

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 15 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
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-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER 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-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (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

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-20050203179-A1 Especially suitable for inhibiting the development of body odour in men SRD5A1, SRD5A2, PON1 TSHR 1849/4885NISCH 427/4885CASP1 2962/4885

“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.