SCHEMBL6722906

SCHEMBL6722906

Oc1ccc(C2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.48
IGF1R P08069 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
MAPK10 P53779 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CSF1R P07333 1/20 0.42
APP P05067 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 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
SCHEMBL2095329 0.99 IGF1R (0.47) ACMSDIGF1RSIRT1SGMS2MRGPRX4
SCHEMBL2095326 0.82 PDE4B (0.47) SGMS2MRGPRX4PDE4APDE4BPDE4C
SCHEMBL5210690 0.77 ACMSD (0.47) ACMSDPDE4APDE4BPDE4CPDE4D
SCHEMBL5249481 0.76 HRH3 (0.60) MRGPRX4KMT2AGAAHRH3SLC6A2
SCHEMBL22103998 0.75 MEN1 (0.51) ACMSDMEN1KMT2A
SCHEMBL22103975 0.75 MEN1 (0.51) ACMSDMEN1KMT2A
SCHEMBL12354455 0.75 SPHK1 (0.60) IGF1RHRH3SPHK1
SCHEMBL6700367 0.75 LMNA (0.55) SIRT1MCL1MEN1ALDH1A1KMT2A
SCHEMBL29134059 0.75 MRGPRX4 (0.40) SGMS2MRGPRX4PDE4APDE4BPDE4C
SCHEMBL16055979 0.75 CSF1R (0.49) SGMS2MRGPRX4PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2004-12-23 US claimed
US-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2002-09-12 US claimed
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2004-12-23 US disclosed
US-6790868-B2 REDUCING THE PRESENCE OF MICROORGANISMS ON A SUBSTRATE OR IN A FLUID ENVIRONMENT WARNER-LAMBERT COMPANY 2004-09-14 US disclosed
US-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2002-09-12 US 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 (2 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-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same PAOX, NONO, TYR ACMSD 162/4885IGF1R 4722/4885SIRT1 4630/4885
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same PAOX, NONO, TYR ACMSD 162/4885IGF1R 4722/4885SIRT1 4630/4885

“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.