SCHEMBL4162844

SCHEMBL4162844

CCCCCCc1cc(C(C)C)c(O)c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
ALOX5 P09917 10/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 6/20 0.42
TRPV1 Q8NER1 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL15313676 0.90 TYR (0.49) TYRALOX5CYP3A4MEN1TP53
SCHEMBL15313670 0.87 PTGS2 (0.47) TYRALOX5CYP3A4MEN1TP53
SCHEMBL15313674 0.87 PTGS2 (0.47) TYRALOX5CYP3A4MEN1TP53
SCHEMBL15313669 0.87 PTGS2 (0.47) TYRALOX5CYP3A4MEN1TP53
SCHEMBL11805847 0.81 ALOX5 (0.45) TYRALOX5CYP3A4MEN1TP53
SCHEMBL5517885 0.80 TYR (0.59) TYRALOX5CYP3A4MEN1TP53
SCHEMBL5680552 0.78 TYR (0.51) TYRALOX5CYP3A4MEN1TP53
SCHEMBL10743686 0.78 TYR (0.56) TYRALOX5CYP3A4MEN1TP53
SCHEMBL4162846 0.77 TYR (0.56) TYRALOX5CYP3A4MEN1TP53
SCHEMBL202072 0.76 PTGS2 (0.58) CYP3A4TP53HTTPTGS2CA1

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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same PAN PAULINE 2009-03-26 US disclosed
EP-1622593-A1 CONFECTIONERY PRODUCTS FOR DELIVERY OF PHARMACEUTICALLY ACTIVE AGENTS TO THE THROAT Warner-Lambert Company LLC (US) 2006-02-08 EP disclosed
EP-1536759-A1 ORAL CARE COMPOSITION COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
US-20050002993-A1 Confectionery products for delivery of pharmaceutically active agents to the throat MCNEIL-PPC, INC 2005-01-06 US disclosed
WO-2004096184-A1 CONFECTIONERY PRODUCTS FOR DELIVERY OF PHARMACEUTICALLY ACTIVE AGENTS TO THE THROAT WARNER-LAMBERT COMPANY LLC (US) 2004-11-11 WO 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
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

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-20090081134-A1 Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same TMSB10, PIGS, TPM3 TYR 55/4885ALOX5 37/4885CYP3A4 487/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 TYR 55/4885ALOX5 37/4885CYP3A4 487/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 TYR 55/4885ALOX5 37/4885CYP3A4 487/4885

“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.