SCHEMBL10119571

SCHEMBL10119571

CCCNC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
FAAH O00519 4/20 0.34
CASP2 P42575 1/20 0.33
BCHE P06276 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
NOD1 Q9Y239 1/20 0.32
NAAA Q02083 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 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
SCHEMBL20113580 0.89 FAAH (0.39) FAAHBCHEPTGS1PTGS2TSHR
SCHEMBL20104906 0.88 HPGD (0.42) CNR1PTGS1PTGS2
SCHEMBL20104867 0.84 HPGD (0.39) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL18115163 0.83 CA1 (0.33) PTGS1PTGS2
SCHEMBL13397048 0.81 NOD1 (0.42) NOD1
SCHEMBL13396744 0.80 NOD1 (0.44) NOD1
SCHEMBL20104905 0.80 CASP2 (0.38) CNR1FAAHCASP2BCHEPTGS1
SCHEMBL13863668 0.79 TSHR (0.41) PTGS1PTGS2TSHR
SCHEMBL20104860 0.79 ALDH1A1 (0.36) PTGS1PTGS2
SCHEMBL13396641 0.79 PTPN1 (0.45) FAAHPTGS1PTGS2

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-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2012-04-05 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-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 CNR1 2037/4885FAAH 2843/4885CASP2 1622/4885

“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.