SCHEMBL4162845

SCHEMBL4162845

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
ALOX5 P09917 6/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 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 5/20 0.42
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
ESR1 P03372 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL38665314 0.77 TYR (0.49) TYRALOX5MEN1TP53CYP3A4
SCHEMBL5676478 0.76 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL5678035 0.76 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL11879334 0.76 TYR (0.50) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27798113 0.76 RARB (0.47) MEN1MAPTKMT2ABIDMCL1
SCHEMBL27776945 0.76 RARB (0.47) MEN1MAPTKMT2ABIDMCL1
SCHEMBL27798101 0.76 RARB (0.47) MEN1MAPTKMT2ABIDMCL1
SCHEMBL5920534 0.75 TYR (0.45) TYRALOX5MEN1TP53CYP3A4
SCHEMBL4162841 0.74 ALOX5 (0.45) TYRALOX5MEN1TP53CYP3A4
SCHEMBL15313676 0.74 TYR (0.49) TYRALOX5MEN1TP53CYP3A4

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 37/4885MEN1 3167/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 TYR 55/4885ALOX5 37/4885MEN1 3167/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 TYR 55/4885ALOX5 37/4885MEN1 3167/4885

“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.