SCHEMBL4533211

SCHEMBL4533211

CC(C)(C)OC1CCN(C(=O)COC(=O)Oc2cccc(CO[N+](=O)[O-])c2)C(N=C=O)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.34
FKBP1A P62942 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
SCHEMBL4056154 0.83 CA12 (0.39) TMEM97
SCHEMBL4046993 0.76
SCHEMBL4049967 0.72 TMEM97 (0.45) TMEM97
SCHEMBL4049391 0.72 TMEM97 (0.41) TMEM97
SCHEMBL13396334 0.65 KLK7 (0.48) TMEM97FKBP1A
SCHEMBL8060480 0.64 GBA1 (0.39)
SCHEMBL17369724 0.62 MAOB (0.39) TMEM97
SCHEMBL3534480 0.61 HTR2A (0.50)
SCHEMBL5566747 0.60 TMEM97 (0.40) TMEM97FKBP1A
SCHEMBL3278450 0.59 ACACB (0.43) TMEM97

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-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 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-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 TMEM97 1514/4885FKBP1A 4331/4885

“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.