SCHEMBL16545610

SCHEMBL16545610

Nc1cc2c(OCCCC(F)(F)F)c(c1)Cc1cc(N)cc(c1OCCCC(F)(F)F)Cc1cc(N)cc(c1OCCCC(F)(F)F)Cc1cc(N)cc(c1OCCCC(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ TLR4 O00206 7/20 0.38
▸ CD14 P08571 7/20 0.38
▸ LY96 Q9Y6Y9 7/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSP90AA1 P07900 3/20 0.33
▸ HSP90AB1 P08238 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ APP P05067 1/20 0.33
▸ ELANE P08246 1/20 0.31
▸ CD69 Q07108 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 0.80 TLR4 (0.56) MAOBTLR4CD14LY96APP
SCHEMBL16545616 0.76 MAOB (0.38) MAOBTLR4CD14LY96MAPT
SCHEMBL16545609 0.74 TLR4 (0.53) MAOBTLR4CD14LY96ELANE
SCHEMBL13987039 0.74 TLR4 (0.51) TLR4CD14LY96ALDH1A1MAPT
SCHEMBL16545620 0.70 CD69 (0.59) MAOBTLR4CD14LY96ELANE
SCHEMBL16545624 0.70 CD69 (0.75) MAOBTLR4CD14LY96ELANE
SCHEMBL16545621 0.69 CD69 (0.47) MAOBTLR4CD14LY96MAPT
SCHEMBL26278020 0.67 MAOB (0.51) MAOBKCNH2APP
SCHEMBL2560925 0.67 MAOB (0.51) MAOBALDH1A1MAPTAPPKMT2A
SCHEMBL21497155 0.64 APP (0.40) MAOBALDH1A1MAPTHSP90AA1HSP90AB1

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 MAOB 1971/4885TLR4 2284/4885CD14 1487/4885

“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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