SCHEMBL10012604

SCHEMBL10012604

CC(CCC#N)C(=O)OCCCCC#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SLC1A2 P43004 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL10012313 0.94 TSHR (0.39) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL10012641 0.93 TSHR (0.33) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL10011415 0.89 TSHR (0.40) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL10011875 0.87 TSHR (0.34) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL10012603 0.85 TSHR (0.33) TSHRMEN1KMT2A
SCHEMBL19881228 0.84 NAAA (0.36) TSHRMEN1KMT2A
SCHEMBL21137683 0.82 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL14353237 0.81 KMT2A (0.47) TSHRSLC1A2MEN1KMT2A
SCHEMBL12430278 0.79 TSHR (0.38) TSHRMEN1KMT2A
SCHEMBL10012054 0.79 TSHR (0.34) 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 3669/4885SLC1A2 195/4885MEN1 2922/4885

“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.