SCHEMBL6400797

SCHEMBL6400797

CCCCCC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.70
HTT P42858 1/20 0.58
THRA P10827 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STS P08842 4/20 0.48

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
SCHEMBL4087986 0.98 HSD17B3 (0.71) HSD17B3HTTTHRANPC1RAB9A
SCHEMBL6345972 0.86 HSD17B3 (0.61) HSD17B3HTTTHRAHDAC1HDAC8
SCHEMBL6341409 0.86 HSD17B3 (0.61) HSD17B3HTTTHRAHDAC1HDAC8
SCHEMBL12065064 0.85 SMN1; SMN2 (0.67) HSD17B3THRANPC1RAB9AHDAC1
SCHEMBL9805742 0.85 HPGD (0.53) HSD17B3NPC1RAB9AHDAC1HDAC8
SCHEMBL29879194 0.84 SMN1; SMN2 (0.58) HSD17B3NPC1RAB9AHDAC1HDAC8
SCHEMBL4953757 0.84 HDAC1 (0.68) HSD17B3THRANPC1RAB9AHDAC1
SCHEMBL12952426 0.84 HDAC1 (0.68) HSD17B3THRANPC1RAB9AHDAC1
SCHEMBL9805782 0.84 HSD17B3 (0.49) HSD17B3NPC1RAB9AHDAC1HDAC8
SCHEMBL1919198 0.83 HSD17B3 (1.00) HSD17B3HTTNPC1RAB9AALDH1A1

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 HSD17B3 1904/4885HTT 1677/4885THRA 4061/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 HSD17B3 1904/4885HTT 1677/4885THRA 4061/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 HSD17B3 1904/4885HTT 1677/4885THRA 4061/4885

“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.