SCHEMBL962399

SCHEMBL962399

CCCCCCCC/C=C\CCCCCCCC[N+](N)(N)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.48
TRPV1 Q8NER1 1/20 0.48
SOAT1 P35610 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 2/20 0.43
TERT O14746 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL7777104 0.96 FAAH (0.52) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL8419983 0.82 SLC22A1 (0.61) TP53CYP3A4HSD17B10ALOX15
SCHEMBL9679851 0.80 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4HSD17B10
SCHEMBL9679829 0.80 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4HSD17B10
SCHEMBL18525110 0.78 SLC22A1 (0.65) FAAHTRPV1TP53CYP3A4HSD17B10
Bromide SCHEMBL29165781 0.78 ALDH1A1 (0.70) FAAHTRPV1TP53CYP3A4HSD17B10
SCHEMBL31556588 0.77 DNM1 (0.74) FAAHTRPV1KMT2ALMNA
SCHEMBL25362976 0.76 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL23040321 0.76 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL22654062 0.76 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2012-08-16 US claimed
JP-2010513275-A 2010-04-30 JP claimed
EP-2152321-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER Arch Chemicals, Inc. (US) 2010-02-17 EP claimed
EP-2114467-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS Arch Chemicals, Inc. (US) 2009-11-11 EP claimed
WO-2008137085-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER ARCH CHEMICALS, INC. (US) 2008-11-13 WO claimed
US-20080274208-A1 Water treatment containing DBNPA for use in sanitizing recreational water ARCH CHEMICALS, INC. 2008-11-06 US claimed
WO-2008076251-A9 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEM INC (US) 2008-08-21 WO claimed
WO-2008076251-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2008-06-26 WO claimed
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems ARCH CHEMICALS, INC. 2008-06-19 US claimed
US-20170036931-A1 METHODS AND KITS FOR STABILIZING OXIDIZERS AND SANITIZING WATER ARCH CHEM INC (US) 2017-02-09 US disclosed
US-20130217575-A1 COMPOSITIONS FOR TREATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2013-08-22 US disclosed
US-8476196-B2 Control of harmful algal blooms by induction of programmed cell death UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-02 US disclosed
US-8440212-B2 Compositions for treating water systems ARCH CHEMICALS, INC. (US) 2013-05-14 US disclosed
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2012-08-16 US disclosed
EP-2114467-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS Arch Chemicals, Inc. (US) 2009-11-11 EP disclosed
WO-2008137085-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER ARCH CHEMICALS, INC. (US) 2008-11-13 WO disclosed
US-20080274208-A1 Water treatment containing DBNPA for use in sanitizing recreational water ARCH CHEMICALS, INC. 2008-11-06 US disclosed
WO-2008076251-A9 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEM INC (US) 2008-08-21 WO disclosed
WO-2008076251-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2008-06-26 WO disclosed
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems ARCH CHEMICALS, INC. 2008-06-19 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 (2 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-20080142453-A1 Biocidal composition and method for treating recirculating water systems DBH, DBF4, QDPR FAAH 3660/4885TRPV1 2009/4885SOAT1 1778/4885
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS DBH, DBF4, QDPR FAAH 3660/4885TRPV1 2009/4885SOAT1 1778/4885

“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.