SCHEMBL18177929

SCHEMBL18177929

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1262441 0.79 CYP3A4 (0.41) TSHRCYP3A4TDP1SMN1; SMN2PKM
SCHEMBL18177932 0.78 LPAR2 (0.37) TSHRCYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL7655654 0.78 TSHR (0.39) TSHRCYP3A4TDP1SMN1; SMN2PKM
SCHEMBL18177939 0.76 BTN3A1 (0.42) ALDH1A1
SCHEMBL18177930 0.76
SCHEMBL18177935 0.76 CYP3A4 (0.38) TSHRCYP3A4TDP1SMN1; SMN2PKM
SCHEMBL18182325 0.75 TSHR (0.41) TSHRCYP3A4TDP1SMN1; SMN2PKM
SCHEMBL14681170 0.74 TSHR (0.47) TSHRCYP3A4TDP1SMN1; SMN2PKM
SCHEMBL18177942 0.72 TSHR (0.39) TSHRCYP3A4TDP1SMN1; SMN2PKM
Phosphoric Acid SCHEMBL27960576 0.71 CYP3A4 (0.42) TSHRCYP3A4TDP1SMN1; SMN2PKM

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 TSHR 3275/4885CYP3A4 4459/4885TDP1 2934/4885

“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.