SCHEMBL3785181

SCHEMBL3785181

OB(O)c1ccc(C2CCCCC2)cc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.42
KMO O15229 1/20 0.40
BACE1 P56817 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
QDPR P09417 1/20 0.38
EPHX2 P34913 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDK2 Q15119 1/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3783960 0.98 ACMSD (0.41) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3784952 0.95 QDPR (0.39) ACMSDKMOHDAC8HDAC4HDAC2
SCHEMBL3793166 0.91 QDPR (0.41) ACMSDHDAC2QDPRSLC6A4PDK2
SCHEMBL3790400 0.86 KMO (0.44) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3791189 0.84 BACE1 (0.44) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3788494 0.84 HDAC8 (0.42) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3785466 0.82 ACMSD (0.38) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3784683 0.82 BACE1 (0.41) ACMSDKMOBACE1HDAC8HDAC4
SCHEMBL3785186 0.81 NUDT1 (0.40) BACE1HTTKMT2ATDP1KDM4E
SCHEMBL3791565 0.80 QDPR (0.39) ACMSDKMOHDAC8HDAC4HDAC2

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 ACMSD 1932/4885KMO 19/4885BACE1 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.