SCHEMBL3786459

SCHEMBL3786459

NOB(O)c1cc(C2CCCCC2)ccc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
BACE1 P56817 2/20 0.37
HDAC2 Q92769 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
EPHX2 P34913 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR1D P28221 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3789808 0.94 QDPR (0.33) HDAC2HDAC4HDAC8HDAC3HDAC1
SCHEMBL3785466 0.88 ACMSD (0.38) KMOACMSDBACE1HDAC2HDAC4
SCHEMBL3790400 0.82 KMO (0.44) KMOACMSDBACE1HDAC2HDAC4
SCHEMBL3791039 0.81 QDPR (0.33) HDAC2HDAC3HDAC1ESR2
SCHEMBL3788494 0.80 HDAC8 (0.42) KMOACMSDBACE1HDAC2HDAC4
SCHEMBL3791565 0.77 QDPR (0.39) KMOACMSDHDAC2HDAC4HDAC8
SCHEMBL3788813 0.77 QDPR (0.41) KMOACMSDHDAC2HDAC4HDAC8
SCHEMBL3790658 0.76 ABCB1 (0.38) BACE1NUDT1PTGDR2KMT2A
SCHEMBL3786810 0.75 NUDT1 (0.35) KMOBACE1NUDT1PTGDR2KDM4E
SCHEMBL3790852 0.74 PTGDR2 (0.39) KMOBACE1NUDT1PTGDR2KMT2A

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 KMO 19/4885ACMSD 1932/4885BACE1 925/4885

“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.