SCHEMBL6399203

SCHEMBL6399203

CC(C)c1c(O)ccc2cc(C(C)(C)C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.40
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 3/20 0.37
RORC P51449 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL6400793 0.86 RORC (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4186803 0.79 CYP1A2 (0.43) MEN1KMT2AGAAPOLBCYP2D6
SCHEMBL7629173 0.79 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19196663 0.79 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11906285 0.77 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10946476 0.77 ESR1 (0.54) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19196115 0.75 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL14072392 0.74 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL722323 0.73 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6557124 0.72 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2005-03-03 US claimed
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-01-15 US claimed
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2002-08-15 US claimed
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2005-03-03 US disclosed
US-6838583-B2 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and the methods of using the same WARNER-LAMBERT COMPANY LLC (US) 2005-01-04 US disclosed
EP-1409443-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY (US) 2004-04-21 EP disclosed
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-01-15 US disclosed
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2002-08-15 US disclosed
WO-2002050001-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME WARNER-LAMBERT COMPANY (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 (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-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 ALDH1A1 3207/4885HPGD 1576/4885ALOX15 1153/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 ALDH1A1 3207/4885HPGD 1576/4885ALOX15 1153/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 ALDH1A1 3207/4885HPGD 1576/4885ALOX15 1153/4885

“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.