SCHEMBL18177935

SCHEMBL18177935

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 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
SCHEMBL18177942 0.91 TSHR (0.39) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177962 0.86 ACHE (0.32) CYP3A4PKMSMN1; SMN2
SCHEMBL18177940 0.86 TSHR (0.37) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18182325 0.86 TSHR (0.41) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177937 0.83 TSHR (0.39) CYP3A4TSHRALDH1A1TDP1LPAR2
SCHEMBL18177936 0.83 CA12 (0.37) SMN1; SMN2TSHRMAPTALDH1A1HSD17B10
SCHEMBL18177982 0.81 ACHE (0.33) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL11682393 0.81 ALDH1A1 (0.33) PKMSMN1; SMN2TSHRMAPTCACNA1B
SCHEMBL7655654 0.81 TSHR (0.39) CYP3A4PKMSMN1; SMN2TSHRMAPT
SCHEMBL18177938 0.80 TSHR (0.49) CYP3A4TSHRMAPTALDH1A1TDP1

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 CYP3A4 4459/4885PKM 1030/4885SMN1; SMN2 1393/4885

“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.