SCHEMBL16545618

SCHEMBL16545618

O=C(O)COc1c2cc([N+](=O)[O-])cc1Cc1cc([N+](=O)[O-])cc(c1OCC(=O)O)Cc1cc([N+](=O)[O-])cc(c1OCC(=O)O)Cc1cc([N+](=O)[O-])cc(c1OCC(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 4/20 0.56
▸ ELANE P08246 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ PTPN12 Q05209 1/20 0.36
▸ PTPN22 Q9Y2R2 1/20 0.36

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
SCHEMBL16545628 0.90 CD69 (0.51) CD69ELANEPTGDR2PTPN2PTPN1
SCHEMBL16545621 0.86 CD69 (0.47) CD69ELANEPTGDR2KMT2AMEN1
SCHEMBL2059437 0.79 PTGDR2 (0.47) CD69ELANEPTGDR2KMT2AMEN1
SCHEMBL4072031 0.76 KDM4E (0.51) PTGDR2KMT2AMEN1LMNAMAPT
SCHEMBL16545625 0.76 CD69 (0.63) CD69ELANEPTGDR2KMT2APTPN1
SCHEMBL8625852 0.76 PTGDR2 (0.50) PTGDR2KMT2AMEN1LMNAMAPT
SCHEMBL13987038 0.75 TLR4 (0.43) KMT2AMEN1PTPN2PTPN1PTPN11
SCHEMBL5574576 0.75 CD69 (0.56) CD69ELANEPTGDR2SMN1; SMN2
SCHEMBL5989809 0.74 PTGDR2 (0.71) PTGDR2KMT2AMEN1PTPN1LMNA
SCHEMBL2184946 0.72 CD69 (1.00) CD69ELANEPTGDR2KMT2AALOX15

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-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 — — 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-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR CD69 672/4885ELANE 311/4885PTGDR2 800/4885

“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.

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