SCHEMBL4162841

SCHEMBL4162841

CCCCCCc1c(C)cc(O)c(C(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.45
TYR P14679 2/20 0.41
PTGS2 P35354 3/20 0.40
HTT P42858 2/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GCGR P47871 2/20 0.38
TRPV1 Q8NER1 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
SCHEMBL31544955 0.75 ALOX5 (0.49) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL4162845 0.74 TYR (0.45) ALOX5TYRPTGS2HTTCYP3A4
SCHEMBL5676843 0.74 ALOX5 (0.56) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL5676538 0.74 ALOX5 (0.51) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL20298938 0.74 PTGS2 (0.57) PTGS2HTTNPC1HPGDMAPK1
SCHEMBL5676736 0.73 ALOX5 (0.54) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL5681687 0.73 ALOX5 (0.54) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL5921129 0.73 ALOX5 (0.54) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL31545390 0.72 NPC1 (0.52) ALOX5TYRPTGS2HTTCYP19A1
SCHEMBL5800572 0.72 CYP19A1 (0.46) ALOX5TYRPTGS2HTTCYP19A1

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 ALOX5 37/4885TYR 55/4885PTGS2 1263/4885
US-20040185010-A1 Oral care compositions comprising tropolone compounds and essential oils and methods of using the same TMSB10, PIGS, TPM3 ALOX5 37/4885TYR 55/4885PTGS2 1263/4885
US-20040018154-A1 ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME TMSB10, PIGS, TPM3 ALOX5 37/4885TYR 55/4885PTGS2 1263/4885

“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.