SCHEMBL3788024

SCHEMBL3788024

Nc1cc(C2CC2)ccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC3 O15379 2/20 0.41
QDPR P09417 5/20 0.40
ESR2 Q92731 3/20 0.37
BACE1 P56817 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC18A3 Q16572 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP2C9 P11712 1/20 0.32
ACMSD Q8TDX5 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
SCHEMBL3784683 0.93 BACE1 (0.41) HDAC1HDAC2HDAC3QDPRBACE1
SCHEMBL3784167 0.93 HDAC2 (0.39) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL3791189 0.91 BACE1 (0.44) HDAC1HDAC2HDAC3QDPRBACE1
SCHEMBL3781283 0.85 HDAC1 (0.44) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL3793166 0.82 QDPR (0.41) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL25409923 0.78 QDPR (0.41) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL26942106 0.78 QDPR (0.53) HDAC2QDPRESR2HDAC4HDAC8
SCHEMBL3788813 0.78 QDPR (0.41) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL3791507 0.78 HDAC1 (0.42) HDAC1HDAC2HDAC3QDPRESR2
SCHEMBL3786600 0.78 HDAC1 (0.42) HDAC1HDAC2HDAC3QDPRBACE1

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 HDAC1 1686/4885HDAC2 549/4885HDAC3 2675/4885

“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.