SCHEMBL4158416

SCHEMBL4158416

CC(C)c1ccc(CCCCCCO)c(=O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.41
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
TYR P14679 4/20 0.41
BCHE P06276 5/20 0.39
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 1/20 0.38
CA5A P35218 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
SCHEMBL4150291 0.88 TYR (0.50) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL13914289 0.88 RNASEH1 (0.46) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL4163804 0.81 RNASEH1 (0.49) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL4174582 0.76 RNASEH1 (0.47) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL31544891 0.75 TYR (0.65) TRPA1PTGS1CACNA1CTYRHTT
SCHEMBL9501884 0.74 TYR (0.46) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL4160996 0.74 RNASEH1 (0.45) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL28248175 0.73 TYR (0.62) TRPA1PTGS1CACNA1CTYRHTT
SCHEMBL4314977 0.73 TYR (0.46) RNASEH1TRPA1PTGS1CACNA1CTYR
SCHEMBL13703034 0.72 HTR2A (0.41) ALDH1A1HDAC4HDAC8ALOX5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same PAN PAULINE 2009-03-26 US disclosed
US-6924398-B2 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same WARNER-LAMBERT COMPANY LLC (US) 2005-08-02 US disclosed
EP-1536759-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
US-20040204501-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same CHENANGO ZERO LLC 2004-10-14 US disclosed
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same MCNEIL-PPC, INC 2004-09-23 US disclosed
US-6787675-B2 CHEMICAL STABILITY; SOLUBILITY; KILLING PATHOGENIC MICROORGANISMS RESPONSIBLE FOR ODOR, PLAQUE AND GINGIVITIS; MOUTHWASHES, RINSES WARNER-LAMBERT COMPANY 2004-09-07 US disclosed
WO-2004012692-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS WARNER-LAMBERT COMPANY LLC (US) 2004-02-12 WO disclosed
US-6689342-B1 DENTISTRY WARNER-LAMBERT COMPANY 2004-02-10 US disclosed
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME MCNEIL-PPC, INC 2004-01-29 US disclosed
US-20040018216-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same JOHNSON & JOHNSON CONSUMER INC. 2004-01-29 US 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 (5 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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same TMSB10, PIGS, TPM3 RNASEH1 2853/4885TRPA1 523/4885PTGS1 492/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 RNASEH1 2853/4885TRPA1 523/4885PTGS1 492/4885
US-20040018216-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same TPM3, TPM4, TMSB10 RNASEH1 3266/4885TRPA1 1218/4885PTGS1 714/4885
US-20040204501-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same TPM3, TPM4, TMSB10 RNASEH1 3266/4885TRPA1 1218/4885PTGS1 714/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 RNASEH1 2853/4885TRPA1 523/4885PTGS1 492/4885

“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.