SCHEMBL10011484

SCHEMBL10011484

COC(=O)CCC(C)C(=O)OCCC#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
SLC1A1 P43005 1/20 0.34
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL10012573 0.91 TSHR (0.41) TSHRKMT2ALMNA
SCHEMBL10010187 0.90 ADRA2A (0.33) TSHRMEN1KMT2A
SCHEMBL10011145 0.87 ADRA2A (0.32) MEN1KMT2A
SCHEMBL10011627 0.86 L3MBTL1 (0.40) TSHRMEN1KMT2AKDM4ELMNA
SCHEMBL10011548 0.83 HTT (0.32) TSHRMEN1KMT2A
SCHEMBL10011415 0.83 TSHR (0.40) TSHRMEN1KMT2A
SCHEMBL10012137 0.83 L3MBTL1 (0.40) TSHRMEN1KMT2AKDM4ELMNA
SCHEMBL10012852 0.82 GSTP1 (0.35) TSHR
SCHEMBL10012360 0.81
SCHEMBL10012286 0.81 DGKA (0.37) TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 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-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 TSHR 3669/4885SLC1A1 238/4885CA12 270/4885

“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.