SCHEMBL3398654

SCHEMBL3398654

C=CCN1C=CN(CCCCCCC)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GUSB P08236 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 3/20 0.32
FAAH O00519 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
DNM1 Q05193 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2693560 1.00 TSHR (0.38) TSHRGUSBEBPSIGMAR1ALDH1A1
SCHEMBL4358564 1.00 TSHR (0.38) TSHRGUSBEBPSIGMAR1ALDH1A1
SCHEMBL15901603 1.00 TSHR (0.38) TSHRGUSBEBPSIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL2900817 0.98 TSHR (0.36) TSHRGUSBEBPSIGMAR1ALDH1A1
Bromide SCHEMBL4362539 0.98 TSHR (0.36) TSHRGUSBEBPSIGMAR1ALDH1A1
Bromide SCHEMBL29249978 0.98 TSHR (0.36) TSHRGUSBEBPSIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL28380752 0.98 TSHR (0.36) TSHRGUSBEBPSIGMAR1ALDH1A1
Iodide SCHEMBL2894608 0.98 TSHR (0.36) TSHRGUSBEBPSIGMAR1ALDH1A1
SCHEMBL1680335 0.98 TSHR (0.34) TSHRGUSBEBPSIGMAR1ALDH1A1
Bromide SCHEMBL4364815 0.96 TSHR (0.33) TSHRGUSBEBPSIGMAR1ALDH1A1

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
EP-1721900-B1 NOVEL IMIDAZOLIUM COMPOUND KANTO KAGAKU (JP) 2014-06-11 EP disclosed
US-8084530-B2 Sealing agent for optical semiconductor element, and optical semiconductor element SEKISUI CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20100171414-A1 SEALING AGENT FOR OPTICAL SEMICONDUCTOR ELEMENT, AND OPTICAL SEMICONDUCTOR ELEMENT SEKISUI CHEMICAL CO., LTD. (JP) 2010-07-08 US disclosed
CN-101679613-A Sealing agent for optical semiconductor element and optical semiconductor element SEKISUI CHEMICAL CO LTD 2010-03-24 CN disclosed
EP-2159242-A1 SEALING AGENT FOR OPTICAL SEMICONDUCTOR ELEMENT, AND OPTICAL SEMICONDUCTOR ELEMENT Sekisui Chemical Co., Ltd. (JP) 2010-03-03 EP disclosed
US-7517999-B2 needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide HIROYUKI OHNO (JP) 2007-08-16 US disclosed
CN-1922152-A Novel imidazolium compound KANTO KAGAKU (JP) 2007-02-28 CN disclosed
EP-1721900-A1 NOVEL IMIDAZOLIUM COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2006-11-15 EP 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 (1 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-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide SLC26A3, KCNJ11, SLC26A4 TSHR 1992/4885GUSB 1353/4885EBP 1820/4885

“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.