SCHEMBL18177937

SCHEMBL18177937

C=CCOP(=O)(OCC=C)C(=O)OCCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL18177938 0.90 TSHR (0.49) TSHRHPGDHCAR2TDP1ALDH1A1
SCHEMBL18177940 0.85 TSHR (0.37) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL18177935 0.83 CYP3A4 (0.38) TSHRTDP1ALDH1A1CYP3A4LPAR2
SCHEMBL18177942 0.82 TSHR (0.39) TSHRTDP1CYP3A4CA12CA1
SCHEMBL18177936 0.82 CA12 (0.37) TSHRALDH1A1LMNACA12CA1
SCHEMBL2239225 0.81 ALDH1A1 (0.38) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL2238367 0.79 CA12 (0.47) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL18182325 0.78 TSHR (0.41) TSHRTDP1CYP3A4CA12CA1
SCHEMBL11682393 0.77 ALDH1A1 (0.33) TSHRALDH1A1LMNA
SCHEMBL2242976 0.76 CYP3A4 (0.50) TSHRHPGDHCAR2ALDH1A1CYP3A4

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 TSHR 3275/4885HPGD 2234/4885HCAR2 2619/4885

“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.