SCHEMBL1469843

SCHEMBL1469843

CCCC=Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
SMPD2 O60906 2/20 0.49
CHAT P28329 5/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RXRA P19793 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1469842 1.00 TLR8 (0.50) TLR8SMPD2CHATMTNR1AMTNR1B
SCHEMBL1468842 0.89 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1468841 0.89 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469797 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469800 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL6439610 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1612562 0.86 CHAT (0.57) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL615455 0.85 SMPD2 (0.51) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL615456 0.85 SMPD2 (0.51) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469921 0.84 TLR8 (0.50) TLR8SMPD2CHATMTNR1AMTNR1B

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
CN-104892655-B Method for preparing alkyl borate compound based on iron catalysis 大连理工大学 2017-06-27 CN disclosed
CN-104892655-A Method for preparing alkyl borate compound based on iron catalysis UNIV DALIAN TECH 2015-09-09 CN disclosed
EP-2202832-B1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL SHINETSU CHEMICAL CO (JP) 2011-11-02 EP disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
US-20110070523-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-03-24 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-2202832-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL Shin-Etsu Chemical Co., Ltd. (JP) 2010-06-30 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
US-5030784-A Process for converting lower-alkyl substituted aromatic compounds and butadiene to 4-aryl-1-butene or 4-aryl-1-pentene and propylene SHELL OIL COMPANY (US) 1991-07-09 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 (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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TLR8 4323/4885SMPD2 3907/4885CHAT 1928/4885

“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.