SCHEMBL3784746

SCHEMBL3784746

OB(O)c1cccc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ENPP2 Q13822 5/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP11B2 P19099 1/20 0.42
MGLL Q99685 2/20 0.41
ACMSD Q8TDX5 1/20 0.40
HIF1A Q16665 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL3783525 0.98 HDAC4 (0.51) KMOHDAC4HDAC2HDAC8ENPP2
SCHEMBL3786808 0.94 HDAC4 (0.47) KMOHDAC4HDAC2HDAC8ENPP2
SCHEMBL3784993 0.90 ENPP2 (0.48) KMOHDAC4HDAC2HDAC8ENPP2
SCHEMBL32669062 0.84 ENPP2 (0.42) KMOHDAC4HDAC2HDAC8ENPP2
SCHEMBL3789096 0.82 KMO (0.39) KMOHDAC4HDAC2HDAC8KDM4E
Hydrogen Peroxide SCHEMBL11391460 0.82 KMO (0.71) KMOHDAC4HDAC2HDAC8KDM4E
SCHEMBL5667650 0.82 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL669730 0.82 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL3790896 0.80 HDAC8 (0.37) KMOHDAC4HDAC2HDAC8KDM4E
SCHEMBL5666805 0.80 KMO (0.62) KMOHDAC4HDAC2HDAC8CYP11B2

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 19/4885HDAC4 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.