SCHEMBL788448

SCHEMBL788448

C=C[CH]C(CCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
CSNK1E P49674 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
NAAA Q02083 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
ASAH1 Q13510 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP19A1 P11511 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ACER2 Q5QJU3 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL17183756 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL11896274 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL17183733 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL17183731 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL17183673 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL27608809 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL17183791 0.86 HTR2A (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL4635969 0.84 SIGMAR1 (0.41) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL7642935 0.80 HTR2A (0.40) HTR2ACSNK1EOPRM1OPRD1OPRK1
SCHEMBL7642931 0.80 HTR2A (0.40) HTR2ACSNK1EOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
EP-2179019-B1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2016-12-14 EP disclosed
EP-2190962-B1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2015-02-25 EP disclosed
US-8598106-B2 Anti-microbial composition exhibiting residual anti-microbial properties on a surface BYOTROL PLC (GB) 2013-12-03 US disclosed
US-8575085-B2 Anti-microbial composition comprising a quaternary ammonium biocide and organopolysiloxane mixture BYOTROL PLC (GB) 2013-11-05 US disclosed
CN-101802159-B Anti-microbial composition BYOTROL PLC 2013-03-27 CN disclosed
US-8178484-B2 Anti-microbial composition comprising a siloxane and anti-microbial compound mixture BYOTROL PLC (GB) 2012-05-15 US disclosed
US-20120071525-A1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2012-03-22 US disclosed
US-20110263665-A1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2011-10-27 US disclosed
US-8003593-B2 Formulations comprising an anti-microbial composition BYOTROL PLC (GB) 2011-08-23 US disclosed
US-20100279906-A1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2010-11-04 US disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
CN-101802159-A Antimicrobial composition BYOTROL PLC 2010-08-11 CN disclosed
US-20100197748-A1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2010-08-05 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 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-20120071525-A1 ANTI-MICROBIAL COMPOSITION H1-0, H1-3, H1-2 HTR2A 3572/4885CSNK1E 1832/4885OPRM1 884/4885
US-20110263665-A1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION PHOSPHO1, NAPEPLD, CAPG HTR2A 4754/4885CSNK1E 4166/4885OPRM1 3219/4885
US-20100197748-A1 ANTI-MICROBIAL COMPOSITION H1-0, H1-3, H1-2 HTR2A 4301/4885CSNK1E 1904/4885OPRM1 1200/4885
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 HTR2A 4625/4885CSNK1E 2578/4885OPRM1 4792/4885
US-20100279906-A1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION PHOSPHO1, NAPEPLD, CAPG HTR2A 4754/4885CSNK1E 4166/4885OPRM1 3219/4885

“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.