SCHEMBL15835697

SCHEMBL15835697

O=[N+]([O-])CC(O)COCCCCOCC(O)CO[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL12880235 0.85 USP2 (0.40) LPAR5USP2HTTCYP1A2CYP3A4
SCHEMBL2728056 0.78 ALDH1A1 (0.42)
SCHEMBL8587453 0.74 CPA1 (0.38)
SCHEMBL12880232 0.72 USP2 (0.38) LPAR5USP2HTTCYP1A2CYP3A4
SCHEMBL11806368 0.70
SCHEMBL12880244 0.69 ALDH1A1 (0.34)
SCHEMBL12880239 0.69 ALDH1A1 (0.34)
SCHEMBL62389 0.68
SCHEMBL9420277 0.68 ALDH1A1 (0.37) USP2
SCHEMBL10911878 0.68

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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2014-06-26 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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM GK, UGCG, GYPA LPAR5 812/4885USP2 1768/4885HTT 3678/4885

“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.