SCHEMBL17686590

SCHEMBL17686590

CCCCCCCCN1C=[N+](C)CC1.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 1/20 0.34
▸ CCR5 P51681 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ GNAI3 P08754 3/20 0.33
▸ GNAO1 P09471 3/20 0.33
▸ GNAI1 P63096 3/20 0.33
▸ GUSB P08236 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17686595 1.00 EEF2K (0.34) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL16552993 0.93 — —
SCHEMBL6383372 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL5796690 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL28398124 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL5797197 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL8453756 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL2927391 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL5794438 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1
SCHEMBL5794615 0.93 EEF2K (0.37) EEF2KCCR5MEN1APAF1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106104-A1 SILICONE-BASED ANTIMICROBIAL COMPOSITION UNIV MAINE (FR) 2016-04-21 — — US claimed
US-20160106104-A1 SILICONE-BASED ANTIMICROBIAL COMPOSITION UNIV MAINE (FR) 2016-04-21 — — 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-20160106104-A1 SILICONE-BASED ANTIMICROBIAL COMPOSITION MIF, PRF1, GCN1 EEF2K 1542/4885CCR5 3000/4885MEN1 541/4885

“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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