SCHEMBL6399792

SCHEMBL6399792

Oc1ccc2cc(C3CC=CCC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 2/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 8/20 0.36
ESR1 P03372 5/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ABL1 P00519 1/20 0.34

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
SCHEMBL8288153 0.82 ESR2 (0.50) CYP2D6MEN1MAPTKMT2AESR2
SCHEMBL6059291 0.78 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1628438 0.77 BACE1 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL29991729 0.75 BACE1 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL2698584 0.75 BACE1 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL7968419 0.72 QDPR (0.61) SLC6A4SLC6A2SLC6A3CYP1A2ESR2
SCHEMBL5620057 0.72 ALDH1A1 (0.41) CYP2D6CYP1A2MEN1MAPTKMT2A
SCHEMBL30133217 0.71 HTR1D (0.41) SLC6A4SLC6A2SLC6A3CYP1A2MEN1
SCHEMBL19729103 0.69 NPC1 (0.53) SLC6A4SLC6A2SLC6A3MEN1MAPT
SCHEMBL15912459 0.69 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2

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 SLC6A4 3225/4885SLC6A2 1916/4885SLC6A3 2508/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 SLC6A4 3225/4885SLC6A2 1916/4885SLC6A3 2508/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 SLC6A4 3225/4885SLC6A2 1916/4885SLC6A3 2508/4885

“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.