SCHEMBL18177955

SCHEMBL18177955

C#CCOC(=O)P(=O)(OCC)OCC#C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
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 3/20 0.35
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
POLB P06746 1/20 0.31
PPARD Q03181 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
SCHEMBL18182121 0.96 CA12 (0.39) ACHECA12CA1CA2CA9
SCHEMBL18177956 0.93 ACHE (0.37) ACHECA12CA1CA2CA9
SCHEMBL18177951 0.91 NPC1 (0.38) ACHECA12CA1CA2CA9
SCHEMBL18177979 0.89 ACHE (0.39) ACHECA12CA1CA2CA9
SCHEMBL18177980 0.84 TSHR (0.33) ACHECA12CA1CA2CA9
SCHEMBL18177974 0.82 ACHE (0.37) ACHECA12CA1CA2CA9
SCHEMBL18166793 0.81 CA12 (0.39) ACHECA12CA1CA2CA9
SCHEMBL18166786 0.81 CA12 (0.41) ACHECA12CA1CA2CA9
SCHEMBL18177977 0.79 ALDH1A1 (0.41) ACHETSHRL3MBTL1ZDHHC20
SCHEMBL18182706 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 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 ACHE 3134/4885CA12 1036/4885CA1 521/4885

“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.