SCHEMBL6406321

SCHEMBL6406321

Oc1ccc2ccccc2c1C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C19 P33261 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2C9 P11712 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 5/20 0.51
MPI P34949 1/20 0.51
KDM4E B2RXH2 4/20 0.49
PTPN22 Q9Y2R2 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6396905 0.98 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL6399247 0.84 KDM4E (0.47) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL23216669 0.83 KDM4E (0.48) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL29768426 0.83 KDM4E (0.48) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL6396908 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL30129727 0.80 CYP1B1 (0.43) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL4038396 0.80 CYP1B1 (0.43) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL3664220 0.80 CYP1B1 (0.43) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL9644028 0.79 HSP90AB1 (0.42) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9
SCHEMBL6340968 0.79 TRPM4 (0.44) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2C9

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 11 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
CN-1291958-C Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2006-12-27 CN disclosed
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
CN-1246469-A Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2000-03-08 CN 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 3207/4885CYP1A2 818/4885CYP2C19 939/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 ALDH1A1 3207/4885CYP1A2 818/4885CYP2C19 939/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 ALDH1A1 3207/4885CYP1A2 818/4885CYP2C19 939/4885

“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.