SCHEMBL1961699

SCHEMBL1961699

Clc1cc(Cl)cc(Sc2cc(Br)cc(Br)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSP90B1 P14625 1/20 0.32
SOD1 P00441 1/20 0.31

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
SCHEMBL30741409 0.92 TSHR (0.35) TSHRCYP3A4HSP90B1
SCHEMBL22026490 0.92 TSHR (0.35) TSHRCYP3A4HSP90B1
SCHEMBL28444010 0.84 MAOA (0.33) TSHRCYP3A4
SCHEMBL1962185 0.84 TSHR (0.57) TSHRTP53CYP3A4SOD1
SCHEMBL15207963 0.81 MAOA (0.47) TSHR
1,3,5-Trichlorobenzene SCHEMBL865477 0.81 TSHR (0.61) TSHRTP53CYP3A4
SCHEMBL29215117 0.81 CHRNA7 (0.40) TP53
SCHEMBL6822918 0.77 TSHR (0.35) TSHR
SCHEMBL1960937 0.76 TSHR (0.47) TSHRTP53CYP3A4
SCHEMBL151031 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332907-B1 ORGANIC SULFUR COMPOUND, PROCESS FOR PRODUCTION OF THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT UTILIZING THE SAME UBE INDUSTRIES (JP) 2015-07-01 EP disclosed
EP-2332907-B1 ORGANIC SULFUR COMPOUND, PROCESS FOR PRODUCTION OF THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT UTILIZING THE SAME UBE INDUSTRIES (JP) 2015-07-01 EP disclosed
US-8597799-B2 Organosulfur compound, process for producing the same, and organic electroluminescence element using the same UBE INDUSTRIES, LTD. (JP) 2013-12-03 US disclosed
US-20110140044-A1 ORGANOSULFUR COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME UBE INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
US-20110140044-A1 ORGANOSULFUR COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME UBE INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
US-20110140044-A1 ORGANOSULFUR COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME UBE INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
EP-2332907-A1 ORGANIC SULFUR COMPOUND, PROCESS FOR PRODUCTION OF THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT UTILIZING THE SAME Ube Industries, Ltd. (JP) 2011-06-15 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-20110140044-A1 ORGANOSULFUR COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME AS3MT, ARSA, ASH2L TSHR 1755/4885TP53 3247/4885CYP3A4 733/4885

“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.