SCHEMBL3790852

SCHEMBL3790852

NOB(O)c1c(C2CCCCC2)cccc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
CEL P19835 2/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KMO O15229 1/20 0.33
NOS1 P29475 1/20 0.33
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
TDO2 P48775 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FEN1 P39748 1/20 0.31
IDO1 P14902 2/20 0.31
PTPN5 P54829 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
SCHEMBL3792610 0.93 PDK2 (0.33) IDO1
SCHEMBL3790658 0.81 ABCB1 (0.38) PTGDR2CELNUDT1BACE1PDCD1
SCHEMBL3783320 0.80 PTGDR2 (0.40) PTGDR2CELNUDT1BACE1PDCD1
SCHEMBL3789799 0.77 PTGDR2 (0.38) PTGDR2CELPDCD1CD274KMO
SCHEMBL3786810 0.77 NUDT1 (0.35) PTGDR2CELNUDT1BACE1KMO
SCHEMBL3786459 0.74 KMO (0.39) PTGDR2NUDT1BACE1KMOKMT2A
SCHEMBL5049851 0.74 PTGDR2 (0.34) PTGDR2CELKMONOS1HTR1A
SCHEMBL3795063 0.73 PDK2 (0.37) MEN1KMT2A
SCHEMBL3787278 0.72 ABCB1 (0.32)
SCHEMBL26562334 0.72 PTGS2 (0.39) PTGDR2CELPDCD1CD274KMO

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PTGDR2 3672/4885CEL 887/4885NUDT1 937/4885

“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.