SCHEMBL16545628

SCHEMBL16545628

CCCOc1c2cc([N+](=O)[O-])cc1Cc1cc([N+](=O)[O-])cc(c1OCCC)Cc1cc([N+](=O)[O-])cc(c1OCC(=O)O)Cc1cc([N+](=O)[O-])cc(c1OCCC)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 3/20 0.51
▸ ELANE P08246 1/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ CD14 P08571 1/20 0.39
▸ LY96 Q9Y6Y9 1/20 0.39
▸ GSTA1 P08263 2/20 0.39
▸ GSTP1 P09211 2/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ PTPRC P08575 3/20 0.36
▸ PTPN2 P17706 3/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ PTPRB P23467 3/20 0.36
▸ PTPN11 Q06124 3/20 0.36
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL16545618 0.90 CD69 (0.56) CD69ELANEPTGDR2PTPN2PTPN1
SCHEMBL13987038 0.89 TLR4 (0.43) TLR4CD14LY96GSTA1GSTP1
SCHEMBL16545621 0.83 CD69 (0.47) CD69ELANEPTGDR2TLR4CD14
SCHEMBL16545626 0.78 CD69 (0.83) CD69ELANETLR4CD14LY96
SCHEMBL2059437 0.74 PTGDR2 (0.47) CD69ELANEPTGDR2PTPRBTHRA
SCHEMBL4072031 0.72 KDM4E (0.51) PTGDR2
SCHEMBL16545616 0.70 MAOB (0.38) CD69ELANETLR4CD14LY96
SCHEMBL16545625 0.69 CD69 (0.63) CD69ELANEPTGDR2PTPN1
SCHEMBL8625852 0.69 PTGDR2 (0.50) PTGDR2PTPRBCYP19A1THRATHRB
SCHEMBL2184946 0.68 CD69 (1.00) CD69ELANEPTGDR2TLR4CD14

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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