SCHEMBL4150291

SCHEMBL4150291

CCCCCCc1ccc(C(C)C)cc(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RNASEH1 O60930 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL4158416 0.88 RNASEH1 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL31544891 0.88 TYR (0.65) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL28248175 0.86 TYR (0.62) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL6240086 0.82 CNR2 (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13914289 0.81 RNASEH1 (0.46) TYRMEN1TP53CYP3A4MAPT
SCHEMBL5164478 0.81 TYR (0.62) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL4163804 0.78 RNASEH1 (0.49) TYRMEN1TP53CYP3A4MAPT
SCHEMBL4174582 0.76 RNASEH1 (0.47) TYRMEN1TP53CYP3A4MAPT
SCHEMBL6979400 0.76 TYR (0.43) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13905654 0.75 RNASEH1 (0.41) TYRTP53CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536759-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS Warner-Lambert Company LLC (US) 2005-06-08 EP claimed
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 claimed
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 claimed
US-6787675-B2 CHEMICAL STABILITY; SOLUBILITY; KILLING PATHOGENIC MICROORGANISMS RESPONSIBLE FOR ODOR, PLAQUE AND GINGIVITIS; MOUTHWASHES, RINSES WARNER-LAMBERT COMPANY 2004-09-07 US claimed
WO-2004012692-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS WARNER-LAMBERT COMPANY LLC (US) 2004-02-12 WO claimed
US-6689342-B1 DENTISTRY WARNER-LAMBERT COMPANY 2004-02-10 US claimed
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 claimed
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 claimed
US-11785944-B2 Phenolic aerosol sprays comprising thymol INNOTECT (US) 2023-10-17 US disclosed
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-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-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
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

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 TYR 55/4885MEN1 3167/4885TP53 1675/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 TYR 55/4885MEN1 3167/4885TP53 1675/4885
US-20040018216-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same TPM3, TPM4, TMSB10 TYR 185/4885MEN1 3823/4885TP53 2278/4885
US-20040204501-A1 Substituted tropolone compounds, oral care compositions containing the same and methods of using the same TPM3, TPM4, TMSB10 TYR 185/4885MEN1 3823/4885TP53 2278/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 TYR 55/4885MEN1 3167/4885TP53 1675/4885

“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.