SCHEMBL3784167

SCHEMBL3784167

Nc1cc(C2CCC2)ccc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC3 O15379 1/20 0.39
BACE1 P56817 1/20 0.38
QDPR P09417 2/20 0.38
ACMSD Q8TDX5 2/20 0.37
ESR2 Q92731 2/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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 0.96 BACE1 (0.41) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3791189 0.95 BACE1 (0.44) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3788024 0.93 HDAC1 (0.41) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3791507 0.86 HDAC1 (0.42) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3784952 0.84 QDPR (0.39) HDAC2QDPRACMSDESR2HDAC4
SCHEMBL3786600 0.82 HDAC1 (0.42) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3782197 0.81 BACE1 (0.44) HDAC2HDAC1HDAC3BACE1QDPR
SCHEMBL3791565 0.80 QDPR (0.39) HDAC2QDPRACMSDESR2HDAC4
SCHEMBL3783960 0.80 ACMSD (0.41) HDAC2HDAC1BACE1QDPRACMSD
SCHEMBL3785181 0.79 ACMSD (0.42) HDAC2HDAC1BACE1QDPRACMSD

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 HDAC2 549/4885HDAC1 1686/4885HDAC3 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.