SCHEMBL16545609

SCHEMBL16545609

CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCC(F)(F)F)Cc1cc(C(C)(C)C)cc(c1OCCCC(F)(F)F)Cc1cc(C(C)(C)C)cc(c1OCCCC(F)(F)F)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 3/20 0.53
▸ CD14 P08571 3/20 0.53
▸ LY96 Q9Y6Y9 3/20 0.53
▸ ELANE P08246 1/20 0.50
▸ CD69 Q07108 1/20 0.50
▸ PTPRC P08575 4/20 0.42
▸ PTPN2 P17706 4/20 0.42
▸ PTPN1 P18031 4/20 0.42
▸ PTPRB P23467 4/20 0.42
▸ PTPN11 Q06124 4/20 0.42
▸ GSTA1 P08263 6/20 0.37
▸ GSTP1 P09211 6/20 0.37
▸ CYP19A1 P11511 4/20 0.35
▸ MAOB P27338 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
SCHEMBL16545619 0.93 TLR4 (0.56) TLR4CD14LY96ELANECD69
SCHEMBL16545624 0.84 CD69 (0.75) TLR4CD14LY96ELANECD69
SCHEMBL16545620 0.84 CD69 (0.59) TLR4CD14LY96ELANECD69
SCHEMBL14617492 0.84 TLR4 (0.57) TLR4CD14LY96ELANECD69
SCHEMBL14617494 0.82 PTPRC (0.57) TLR4CD14LY96ELANECD69
SCHEMBL30388098 0.79 ELANE (0.51) TLR4CD14LY96ELANECD69
SCHEMBL2471228 0.74 GABRA1 (0.50) TLR4CD14LY96ELANECD69
SCHEMBL29517201 0.74 GABRA1 (0.50) TLR4CD14LY96ELANECD69
SCHEMBL13620669 0.74 GABRA1 (0.50) TLR4CD14LY96ELANECD69
SCHEMBL30547266 0.74 GABRA1 (0.50) TLR4CD14LY96ELANECD69

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 TLR4 2284/4885CD14 1487/4885LY96 367/4885

“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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