SCHEMBL4881695

SCHEMBL4881695

CCOc1c(F)cc(F)c(F)c1B(c1c(F)c(F)cc(F)c1OCC)c1c(F)c(F)cc(F)c1OCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4889935 0.85 TUBB1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22114300 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4753814 0.79 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30215993 0.78 TUBB1 (0.32) TUBB1
SCHEMBL4880501 0.78 TUBB1 (0.32) TUBB1
SCHEMBL4884975 0.77 HTT (0.37) TUBB1TSHRL3MBTL1
SCHEMBL2555003 0.74 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4885875 0.73
SCHEMBL22883765 0.72 HTR2A (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL619866 0.71 CA1 (0.36)

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
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 GRIN2D 3582/4885GRIN3B 3119/4885GRIN1 1966/4885

“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.