SCHEMBL6399776

SCHEMBL6399776

Oc1ccc(C2CCCCC2O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EP300 Q09472 2/20 0.37
KAT2B Q92831 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
APP P05067 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SNCA P37840 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
SCHEMBL6396779 0.97 IDO1 (0.45) IDO1MEN1KMT2AESR1ESR2
SCHEMBL9060534 0.81 KDM1A (0.53) IDO1MEN1KMT2A
SCHEMBL9060529 0.81 KDM1A (0.53) IDO1MEN1KMT2A
SCHEMBL3863496 0.81 KDM1A (0.53) IDO1MEN1KMT2A
SCHEMBL9060540 0.81 KDM1A (0.53) IDO1MEN1KMT2A
SCHEMBL9391060 0.78 KMT2A (0.65) MEN1KMT2AHPGDALOX15CDK4
SCHEMBL9386543 0.78 KMT2A (0.65) MEN1KMT2AHPGDALOX15CDK4
SCHEMBL9387582 0.78 KMT2A (0.65) MEN1KMT2AHPGDALOX15CDK4
SCHEMBL11007946 0.78 IDO1 (0.52) IDO1MEN1KMT2AESR1ESR2
SCHEMBL9387499 0.78 KMT2A (0.65) MEN1KMT2AHPGDALOX15CDK4

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 IDO1 2002/4885MEN1 2321/4885KMT2A 4054/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 IDO1 2002/4885MEN1 2321/4885KMT2A 4054/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 IDO1 2002/4885MEN1 2321/4885KMT2A 4054/4885

“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.