SCHEMBL10010090

SCHEMBL10010090

CC(C)(C#N)COC(=O)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
SLC22A6 Q4U2R8 2/20 0.38
PAM P19021 2/20 0.36
LMNA P02545 2/20 0.33
VCAM1 P19320 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AKR1B1 P15121 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL10012818 0.97 TSHR (0.41) TSHRSLC22A6PAMLMNAHSD17B10
SCHEMBL10012611 0.95 PAM (0.42) TSHRSLC22A6PAMLMNAHSD17B10
SCHEMBL10010089 0.93 TSHR (0.38) TSHRPAMLMNAALDH1A1DGKA
SCHEMBL10012059 0.89 EGLN1 (0.38) TSHRPAMLMNAVCAM1ALDH1A1
SCHEMBL10012816 0.89 DGKA (0.39) TSHRPAMLMNAALDH1A1DGKA
SCHEMBL10012609 0.87 DGKA (0.42) TSHRPAMLMNAHSD17B10ALDH1A1
SCHEMBL10012056 0.85 ADRA2A (0.35) TSHRALDH1A1
SCHEMBL28602342 0.84 DGKA (0.44) TSHRPAMLMNAALDH1A1DGKA
SCHEMBL10010458 0.83 TSHR (0.43) TSHRSLC22A6PAMLMNAVCAM1
SCHEMBL10011232 0.83 TSHR (0.46) TSHRSLC22A6PAMLMNAVCAM1

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 3669/4885SLC22A6 268/4885PAM 2577/4885

“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.