SCHEMBL18177932

SCHEMBL18177932

C=CCCOC(=O)P(C)(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 6/20 0.32
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 2/20 0.30
HSD17B10 Q99714 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18177929 0.78 TSHR (0.41) ALDH1A1TSHRHPGDKDM4ETP53
SCHEMBL18182320 0.77 CA12 (0.41) LPAR2LPAR3ALDH1A1LMNACA2
SCHEMBL28798815 0.76 LPAR3 (0.40) LPAR2LPAR3ALDH1A1CA2CA9
SCHEMBL47886 0.74 CA2 (0.42) LPAR2LPAR3ALDH1A1LMNACA2
SCHEMBL506184 0.73
SCHEMBL12214046 0.71
SCHEMBL6723047 0.70
SCHEMBL47887 0.70
SCHEMBL6969940 0.70
SCHEMBL25101223 0.70

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 LPAR2 1340/4885LPAR3 3027/4885ALDH1A1 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.