SCHEMBL18177976

SCHEMBL18177976

CCOP(=O)(OCC)C(=O)OCCOC(=O)P(C)(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.33
PPARD Q03181 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1I2 O75469 1/20 0.33
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18177992 0.92 CA12 (0.46) CA12CA1CA2CA9TSHR
SCHEMBL18177990 0.92 CA12 (0.46) CA12CA1CA2CA9TSHR
SCHEMBL18166795 0.92 CA12 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL2238367 0.83 CA12 (0.47) CA12CA1CA2CA9TSHR
SCHEMBL18182337 0.83 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL18182338 0.83 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL18177995 0.83 CA12 (0.37) CA12CA1CA2CA9TSHR
SCHEMBL18177993 0.83 CA12 (0.37) CA12CA1CA2CA9TSHR
SCHEMBL2240528 0.81 CA12 (0.47) CA12CA1CA2CA9TSHR
SCHEMBL2239755 0.80 CA12 (0.48) 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 1 patent. 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

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.