SCHEMBL3790896

SCHEMBL3790896

OB(O)c1cc(C2CCCC2)cc(C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
ACMSD Q8TDX5 2/20 0.36
KMO O15229 1/20 0.36
HIF1A Q16665 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP11B2 P19099 1/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR2 Q92731 1/20 0.31
CNR2 P34972 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL3789096 0.98 KMO (0.39) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3790025 0.95 ESR2 (0.35) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3787015 0.90 ESR2 (0.33) KDM4EESR2
SCHEMBL3784270 0.88 ALDH1A1 (0.38) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3789503 0.87 ALDH1A1 (0.37) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3791248 0.84 KDM4E (0.38) KDM4EESR2
SCHEMBL3783525 0.81 HDAC4 (0.51) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3784746 0.80 KMO (0.53) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL3289787 0.79 HDAC1 (0.46) HDAC8ACMSDHIF1AHDAC1HDAC6
SCHEMBL778085 0.79 HDAC8 (0.43) HDAC8HDAC4HDAC2ACMSDKMO

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 HDAC8 1421/4885HDAC4 3220/4885HDAC2 549/4885

“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.