SCHEMBL6730752

SCHEMBL6730752

COc1ccccc1Oc1cccc(CCCO)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
PTGS2 P35354 1/20 0.59
IDO1 P14902 1/20 0.45
TNKS2 Q9H2K2 1/20 0.43
MPO P05164 1/20 0.43
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 2/20 0.40

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
SCHEMBL6724597 0.88 ALOX5 (0.72) ALOX5PTGS2IDO1MPOHTT
SCHEMBL6719931 0.84 ALOX5 (0.62) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL6723731 0.84 ALOX5 (0.46) ALOX5PTGS2IDO1MPOALDH1A1
SCHEMBL80578 0.80 TAAR1 (0.60) ALOX5PTGS2IDO1MPOTAAR1
SCHEMBL30118916 0.80 TAAR1 (0.60) ALOX5PTGS2IDO1MPOTAAR1
Alcohol SCHEMBL28456628 0.78 ALOX5 (0.87) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL28327254 0.77 TAAR1 (0.52) IDO1MPOALDH1A1MAPK1HTT
SCHEMBL24740780 0.76 MAPK1 (0.61) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL17024100 0.76 HRH1 (0.46) MPOTAAR1
SCHEMBL6730661 0.76 IDO1 (0.45) ALOX5PTGS2IDO1CALM1ALDH1A1

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 7 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
WO-2002050008-A2 NON-HALOGENATED PHENOXY AND/OR BENZYLOXY PHENOLS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO 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
WO-2002050008-A2 NON-HALOGENATED PHENOXY AND/OR BENZYLOXY PHENOLS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 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 (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 ALOX5 1083/4885PTGS2 2544/4885IDO1 1171/4885
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 ALOX5 1083/4885PTGS2 2544/4885IDO1 1171/4885

“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.