SCHEMBL4891678

SCHEMBL4891678

CCc1ccc(Cl)c(B(c2c(Cl)ccc(CC)c2Cl)c2c(Cl)ccc(CC)c2Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.37
CTRC Q99895 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 3/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HTR2B P41595 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
SCHEMBL1547630 0.77 CLCN2 (0.45) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL12658946 0.75 CTRC (0.48) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL10158646 0.75 CTRC (0.40) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL4892232 0.74 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9410520 0.71 CLCN2 (0.38) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL12551872 0.71 CLCN2 (0.38) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL9410519 0.71 GABRA1 (0.44) CLCN2CTRCGABRA1GABRB2HTR2A
SCHEMBL4889558 0.70 ALDH1A1 (0.36) CLCN2
SCHEMBL4886536 0.69 MAPT (0.38) L3MBTL1
SCHEMBL2662577 0.68 CTRC (0.39) CLCN2CTRCGABRA1GABRB2HTR2A

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 4 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
EP-1817318-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS Nippon Shokubai Co.,Ltd. (JP) 2007-08-15 EP disclosed
WO-2006080538-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-03 WO 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 CLCN2 2042/4885CTRC 1681/4885GABRA1 2034/4885

“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.