SCHEMBL18177939

SCHEMBL18177939

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 2/20 0.42
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
TTR P02766 1/20 0.35
FNTA P49354 6/20 0.32
FNTB P49356 4/20 0.32
PGGT1B P53609 4/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL18182339 0.76 BTN3A1 (0.42) BTN3A1ALOX15ALDH1A1MMP1MMP2
SCHEMBL18177929 0.76 TSHR (0.41) ALDH1A1
SCHEMBL20546231 0.75
SCHEMBL18177930 0.74
SCHEMBL1871028 0.74 ALDH1A1 (0.65) BTN3A1ALOX15ALDH1A1MMP1MMP2
SCHEMBL113776 0.74
SCHEMBL6913629 0.74 ALDH1A1 (0.48) BTN3A1ALOX15ALDH1A1MMP1MMP2
SCHEMBL9544217 0.72
SCHEMBL9544224 0.72
Hydrogen Peroxide SCHEMBL31395241 0.72 ALDH1A1 (0.63) BTN3A1ALOX15ALDH1A1MMP1MMP2

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 BTN3A1 3888/4885ALOX15 795/4885ALDH1A1 1285/4885

“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.