SCHEMBL6403723

SCHEMBL6403723

CC(C)c1cc2cc(C(C)c3ccccc3)ccc2cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
UGT2B7 P16662 1/20 0.46
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 9/20 0.38
KCNH2 Q12809 6/20 0.38
CYP2D6 P10635 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8897330 0.83 TRPA1 (0.47) TYRUGT2B7GABRA1GABRB2SLC6A2
SCHEMBL17707911 0.83 TRPA1 (0.47) TYRUGT2B7GABRA1GABRB2SLC6A2
SCHEMBL20920806 0.82 TYR (0.51) TYRADRA2AADRA2CGABRA1GABRB2
SCHEMBL3001927 0.81 UGT2B7 (0.61) UGT2B7ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL11038220 0.80 TYR (0.62) TYRUGT2B7GABRA1GABRB2CYP2D6
SCHEMBL16169461 0.79 GABRA1 (0.50) TYRUGT2B7GABRA1GABRB2SLC6A2
SCHEMBL6400171 0.79 GABRA1 (0.54) TYRUGT2B7GABRA1GABRB2SLC6A2
SCHEMBL7703341 0.79 ACMSD (0.44) TYRUGT2B7ADRA2AADRA2BADRA2C
SCHEMBL11020997 0.78 TYR (0.56) TYRUGT2B7ADRA2AADRA2BADRA2C
SCHEMBL21517640 0.76 ESR1 (0.61) TYRUGT2B7ADRA2AADRA2BADRA2C

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
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
EP-1499286-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2005-01-26 EP 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
WO-2003103622-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-18 WO 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 TYR 170/4885UGT2B7 1365/4885ADRA2A 4484/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 TYR 170/4885UGT2B7 1365/4885ADRA2A 4484/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 TYR 170/4885UGT2B7 1365/4885ADRA2A 4484/4885

“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.