SCHEMBL6722882

SCHEMBL6722882

CCCc1cccc(Oc2ccc(C(C)(C)C)cc2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ELANE P08246 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9445272 0.81 ALOX5 (0.59) ALOX5PTGS2ELANE
SCHEMBL7548989 0.80 ALOX5 (0.51) ALOX5PTGS2ALDH1A1HPGDALOX15
SCHEMBL6015487 0.78 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12732658 0.77 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5166273 0.73 ALDH1A1 (0.55) ALOX5ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6719931 0.73 ALOX5 (0.62) ALOX5PTGS2ALDH1A1HPGDALOX15
SCHEMBL12732921 0.72 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL921504 0.71 GABRA1 (0.67) ALOX5PTGS2ALDH1A1HPGDALOX15
SCHEMBL23748452 0.70 ALOX5 (0.77) ALOX5PTGS2ALDH1A1HPGDALOX15
SCHEMBL5165521 0.70 CYP2D6 (0.61) ALOX5ALDH1A1HPGDALOX15HSD17B10

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 ALOX5 1083/4885PTGS2 2544/4885ALDH1A1 3391/4885
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 2544/4885ALDH1A1 3391/4885

“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.