SCHEMBL2217546

SCHEMBL2217546

O=C(CCCC(=O)On1nnc2cccnc21)On1nnc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
MGLL Q99685 4/20 0.43
HPSE Q9Y251 1/20 0.41
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
KRAS P01116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2217398 0.96 HPSE (0.45) FAAHMGLLHPSELMNAPOLB
SCHEMBL12435616 0.96 HPSE (0.45) FAAHMGLLHPSELMNAPOLB
SCHEMBL20489267 0.90 HPSE (0.53) FAAHMGLLHPSELMNAMEN1
SCHEMBL20489265 0.90 HPSE (0.53) FAAHMGLLHPSELMNAMEN1
SCHEMBL12435588 0.88 FAAH (0.45) FAAHMGLLLMNAPOLBSMN1; SMN2
SCHEMBL23154564 0.86 LMNA (0.38) FAAHMGLLHPSELMNAPOLB
SCHEMBL2293707 0.85 FAAH (0.43) FAAHMGLLLMNAPOLBSMN1; SMN2
SCHEMBL23974808 0.85 FAAH (0.49) FAAHMGLLLMNAPOLBSMN1; SMN2
SCHEMBL2295830 0.85 FAAH (0.43) FAAHMGLLLMNAPOLBALDH1A1
SCHEMBL7012103 0.84 FAAH (0.44) FAAHMGLLLMNAPOLBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
WO-2010136539-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS COVALX AG (CH) 2010-12-02 WO disclosed
WO-2010136539-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS COVALX AG (CH) 2010-12-02 WO 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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS MTCL3, BICRA, HMGB3 FAAH 2750/4885MGLL 4839/4885HPSE 308/4885

“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.