SCHEMBL16545626

SCHEMBL16545626

CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCCC)C2

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 4/20 0.83
▸ ELANE P08246 1/20 0.83
▸ TLR4 O00206 4/20 0.53
▸ CD14 P08571 4/20 0.53
▸ LY96 Q9Y6Y9 4/20 0.53
▸ PTPRC P08575 4/20 0.44
▸ PTPN2 P17706 4/20 0.44
▸ PTPN1 P18031 4/20 0.44
▸ PTPRB P23467 4/20 0.44
▸ PTPN11 Q06124 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ GSTA1 P08263 3/20 0.41
▸ GSTP1 P09211 3/20 0.41
▸ RARG P13631 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL2184946 0.91 CD69 (1.00) CD69ELANETLR4CD14LY96
SCHEMBL2217463 0.91 CD69 (1.00) CD69ELANETLR4CD14LY96
SCHEMBL16545623 0.89 CD69 (0.65) CD69ELANETLR4CD14LY96
SCHEMBL13987040 0.87 ELANE (0.58) CD69ELANETLR4CD14LY96
SCHEMBL29299544 0.84 CD69 (0.86) CD69ELANETLR4CD14LY96
SCHEMBL16545624 0.84 CD69 (0.75) CD69ELANETLR4CD14LY96
SCHEMBL38660826 0.84 CD69 (0.79) CD69ELANETLR4CD14LY96
SCHEMBL14617494 0.82 PTPRC (0.57) CD69ELANETLR4CD14LY96
SCHEMBL14617493 0.81 ELANE (0.53) CD69ELANETLR4CD14LY96
SCHEMBL16545628 0.78 CD69 (0.51) CD69ELANETLR4CD14LY96

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 311/4885TLR4 2284/4885

“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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