SCHEMBL18177936

SCHEMBL18177936

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.35
NR1I2 O75469 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
HMGCR P04035 1/20 0.30
ALOX15 P16050 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
SCHEMBL18177940 0.96 TSHR (0.37) CA12CA1CA2CA9TSHR
SCHEMBL18177942 0.93 TSHR (0.39) CA12CA1CA2CA9TSHR
SCHEMBL18182325 0.89 TSHR (0.41) CA12CA1CA2CA9TSHR
SCHEMBL2240528 0.84 CA12 (0.47) CA12CA1CA2CA9TSHR
Ammonia Solution, Strong SCHEMBL11745592 0.83 ALOX15 (0.32) ALOX15
SCHEMBL18177935 0.83 CYP3A4 (0.38) TSHRNPSR1ALDH1A1MAPTKMT2A
SCHEMBL18177937 0.82 TSHR (0.39) CA12CA1CA2CA9TSHR
SCHEMBL11319436 0.82 NR1I2 (0.33) CA12CA1CA2CA9TSHR
SCHEMBL18177938 0.79 TSHR (0.49) TSHRNPSR1ALDH1A1MAPTRAB9A
SCHEMBL18182320 0.79 CA12 (0.41) CA12CA1CA2CA9TSHR

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 CA12 1036/4885CA1 521/4885CA2 454/4885

“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.