SCHEMBL18177982

SCHEMBL18177982

C#CCOP(=O)(OCC#C)C(=O)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL18177962 0.97 ACHE (0.32) ACHECYP3A4PKMSMN1; SMN2
SCHEMBL18177980 0.92 TSHR (0.33) ACHETSHR
SCHEMBL18177968 0.90 ACHE (0.32) ACHE
SCHEMBL18177935 0.81 CYP3A4 (0.38) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177951 0.81 NPC1 (0.38) ACHETSHR
SCHEMBL18182705 0.79 ACHE (0.31) ACHETSHR
SCHEMBL18182325 0.77 TSHR (0.41) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177979 0.77 ACHE (0.39) ACHETSHR
SCHEMBL18177942 0.74 TSHR (0.39) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177956 0.74 ACHE (0.37) ACHETSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 US disclosed
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 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-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 ACHE 3134/4885CYP3A4 4459/4885PKM 1030/4885

“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.