SCHEMBL18177974

SCHEMBL18177974

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
TSHR P16473 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 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
SCHEMBL18177977 0.90 ALDH1A1 (0.41) ACHETSHRHCAR2L3MBTL1ZDHHC20
SCHEMBL18177979 0.85 ACHE (0.39) ACHETSHRALDH1A1NPC1LMNA
SCHEMBL18177951 0.83 NPC1 (0.38) ACHETSHRNPC1CA12CA1
SCHEMBL18177955 0.82 ACHE (0.37) ACHETSHRL3MBTL1ZDHHC20NPC1
SCHEMBL18177956 0.82 ACHE (0.37) ACHETSHRALDH1A1LMNACA12
SCHEMBL2239225 0.81 ALDH1A1 (0.38) TSHRHCAR2ALDH1A1LMNACA12
SCHEMBL2238367 0.79 CA12 (0.47) TSHRHCAR2ALDH1A1LMNACA12
SCHEMBL18182121 0.78 CA12 (0.39) ACHETSHRL3MBTL1ZDHHC20NPC1
SCHEMBL18177957 0.77 ACHE (0.44) ACHETSHR
SCHEMBL2242976 0.76 CYP3A4 (0.50) TSHRHCAR2ALDH1A1CA12CA1

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 ACHE 3134/4885TSHR 3275/4885HCAR2 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.