SCHEMBL6400212

SCHEMBL6400212

Oc1ccc2ccccc2c1C1CCCCC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
CYP1A2 P05177 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MPI P34949 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6409090 0.97 KDM4E (0.45) KDM4EALDH1A1MAPTCYP1A2HIF1A
SCHEMBL11475423 0.83 TAS1R3 (0.43) KDM4EALDH1A1MAPTCYP1A2HIF1A
SCHEMBL6396905 0.80 ALDH1A1 (0.53) KDM4EALDH1A1MAPTCYP1A2HIF1A
SCHEMBL6406321 0.78 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCYP1A2HIF1A
SCHEMBL9060534 0.75 KDM1A (0.53) MEN1KMT2A
SCHEMBL9060540 0.75 KDM1A (0.53) MEN1KMT2A
SCHEMBL9060529 0.75 KDM1A (0.53) MEN1KMT2A
SCHEMBL3863496 0.75 KDM1A (0.53) MEN1KMT2A
SCHEMBL31672130 0.74 AR (0.43) KDM4EALDH1A1MAPTCYP1A2HIF1A
SCHEMBL6399776 0.73 IDO1 (0.45) ALDH1A1MAPTCYP1A2HIF1ACYP2C9

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 KDM4E 4695/4885ALDH1A1 3207/4885MAPT 3735/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 KDM4E 4695/4885ALDH1A1 3207/4885MAPT 3735/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 KDM4E 4695/4885ALDH1A1 3207/4885MAPT 3735/4885

“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.