SCHEMBL18177979

SCHEMBL18177979

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 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
SCHEMBL18177956 0.96 ACHE (0.37) ACHEALDH1A1TSHRLMNAHSD17B10
SCHEMBL18177955 0.89 ACHE (0.37) ACHETSHRNPC1CA12CA1
SCHEMBL18177951 0.86 NPC1 (0.38) ACHETSHRNPC1CA12CA1
SCHEMBL18177974 0.85 ACHE (0.37) ACHEALDH1A1TSHRLMNANPC1
SCHEMBL18182121 0.85 CA12 (0.39) ACHETSHRNPC1CA12CA1
SCHEMBL18177977 0.82 ALDH1A1 (0.41) ACHEALDH1A1TSHRLMNA
SCHEMBL18177980 0.81 TSHR (0.33) ACHETSHRCA12CA1CA2
SCHEMBL18177957 0.80 ACHE (0.44) ACHETSHR
SCHEMBL2240528 0.79 CA12 (0.47) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL18166793 0.77 CA12 (0.39) ACHETSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same UBE INDUSTRIES, LTD. (JP) 2019-08-06 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
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 (2 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-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same HCN2, PHOSPHO1, HCN1 ACHE 3134/4885ALDH1A1 1285/4885TSHR 3275/4885
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 ACHE 3134/4885ALDH1A1 1285/4885TSHR 3275/4885

“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.