SCHEMBL3084715

SCHEMBL3084715

CCCCCCCCCCCC(=O)NOC(=O)CC(C(=O)NC(C)O)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
DNM1 Q05193 1/20 0.37
MAPT P10636 1/20 0.35
ASAH2 Q9NR71 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ASAH1 Q13510 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
LPAR3 Q9UBY5 4/20 0.34
STS P08842 2/20 0.34
HSP90AA1 P07900 1/20 0.34
LPAR1 Q92633 2/20 0.34
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PLA2G10 O15496 1/20 0.33

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
SCHEMBL27850671 0.85 RECQL (0.42) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL4853542 0.84 MAPT (0.40) FAAHMEN1KMT2AMAPK1MAPT
SCHEMBL3824079 0.83 MAPT (0.41) FAAHMEN1KMT2AMAPK1MAPT
SCHEMBL3089214 0.78 CASP2 (0.47) FAAHLMNAALDH1A1
SCHEMBL28453654 0.78 CNR2 (0.50) FAAHMEN1KMT2ALPAR3CNR2
SCHEMBL2486962 0.76 TP53 (0.42) FAAHMEN1KMT2AMAPK1
SCHEMBL28685566 0.75 EPHX2 (0.51) FAAHCNR2TRPV1
SCHEMBL2727562 0.72 FAAH (0.47) FAAHMEN1KMT2AMAPK1DNM1
Sulfuric Acid SCHEMBL8101393 0.72 FAAH (0.65) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL5516336 0.71 ALDH1A1 (0.45) MAPTRECQLLMNAALDH1A1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084046-B2 Incorporation of certain isoprenoid compounds into catamenial tampon to reduce or eliminate pathogenic microorganisms and menstrually occurring Toxic Shock Syndrome KIMBERLY-CLARK WORLDWIDE, INC. (US) 2011-12-27 US disclosed
US-20100274071-A1 Aromatic Compositions As Inhibitors Of Exoprotein Production In Non-Absorbent Articles KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-10-28 US disclosed
US-7691403-B2 Non-absorbent tampon containing additives inhibiting TSST-1 KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-04-06 US disclosed
US-20090035353-A1 NON-ABSORBENT ARTICLES CONTAINING ADDITIVES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-02-05 US disclosed
US-20080096850-A1 Exposing Grampositive bacteria of vagina to a synergistic mixture including hexachlorophene, benzyl paraben, benzyl salicylate, a benzophenone, chlorophene, 2,4-diaminodiphenylamine, dichlorophene, HC Green No. 1, HC Orange No. 1, HC Red No. 1, isopropylbenzyl salicylate, and phenyl salicylate; tampons KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-04-24 US disclosed
US-7348023-B2 Absorbent articles containing additives KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-03-25 US disclosed
US-20080033382-A1 INHIBITION OF EXOPROTEIN PRODUCTION IN ABSORBENT ARTICLES USING AROMATIC COMPOSITIONS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-02-07 US disclosed
US-7323186-B2 Non-absorbent articles containing additives KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-01-29 US disclosed
US-7294651-B2 Inhibition of exoprotein production using isoprenoid compositions KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-11-13 US disclosed
US-7258867-B2 Aromatic compositions as inhibitors of exoprotein production in non-absorbent articles KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-08-21 US disclosed
US-20030153629-A1 Methods for the inhibition of exoprotein production from Gram positive bacteria KIMBERLY-CLARK WORLDWIDE, INC. 2003-08-14 US disclosed
US-6596290-B2 Disposable product containing terpene; suppressing production of exotoxins by Gram positive bacteria KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-22 US disclosed
US-20030133966-A1 Inhibition of exoprotein production in non-absorbent articles using aromatic compositions KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-17 US disclosed
US-20030135173-A1 Inhibition of exoprotein production in absorbent articles using aromatic compositions KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-17 US disclosed
US-20030134897-A1 Aromatic compositions for the inhibition of exoprotein production from gram positive bacteria KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-17 US disclosed
US-20030105439-A1 Inhibition of exoprotein production in absorbent articles using isoprenoids KIMBERLY-CLARK WORLDWIDE, INC. 2003-06-05 US disclosed
US-20030096877-A1 Inhibition of exoprotein production in non-absorbent articles using isoprenoid compositions KIMBERLY-CLARK WORLDWIDE, INC. 2003-05-22 US disclosed
WO-2003030953-A1 INHIBITION OF EXOPROTEIN PRODUCTION USING AROMATIC COMPOSITIONS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-04-17 WO disclosed
WO-2003028777-A1 INHIBITION OF EXOPROTEINS USING ISOPRENOIDS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-04-10 WO disclosed
US-6534548-B1 Vaginal cleansers and douches; inhibit production of exotoxins from Grampositive bacteria KIMBERLY-CLARK WORLDWIDE, INC. 2003-03-18 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 (6 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-20030153629-A1 Methods for the inhibition of exoprotein production from Gram positive bacteria MRPL21, ENGASE, FNTB FAAH 3341/4885MEN1 3619/4885KMT2A 4843/4885
US-20080096850-A1 Exposing Grampositive bacteria of vagina to a synergistic mixture including hexachlorophene, benzyl paraben, benzyl salicylate, a benzophenone, chlorophene, 2,4-diaminodiphenylamine, dichlorophene, HC Green No. 1, HC Orange No. 1, HC Red No. 1, isopropylbenzyl salicylate, and phenyl salicylate; tampons TST, DDT, SULT1E1 FAAH 1473/4885MEN1 4028/4885KMT2A 1982/4885
US-20090035353-A1 NON-ABSORBENT ARTICLES CONTAINING ADDITIVES CNOT1, DCUN1D1, CNDP2 FAAH 3234/4885MEN1 2078/4885KMT2A 2827/4885
US-20030096877-A1 Inhibition of exoprotein production in non-absorbent articles using isoprenoid compositions FNTA, FNTB, GGPS1 FAAH 3857/4885MEN1 2586/4885KMT2A 4835/4885
US-20030133966-A1 Inhibition of exoprotein production in non-absorbent articles using aromatic compositions EXOC1, EXOC3, EXOC4 FAAH 537/4885MEN1 3934/4885KMT2A 4605/4885
US-20030134897-A1 Aromatic compositions for the inhibition of exoprotein production from gram positive bacteria EXOC1, EXOC3, EXOC4 FAAH 653/4885MEN1 4816/4885KMT2A 4270/4885

“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.