SCHEMBL3783525

SCHEMBL3783525

OB(O)c1cccc(C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
KMO O15229 1/20 0.50
ENPP2 Q13822 6/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 2/20 0.42
EPHX1 P07099 1/20 0.40
CYP11B2 P19099 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL3784746 0.98 KMO (0.53) HDAC4HDAC2HDAC8KMOENPP2
SCHEMBL3786808 0.96 HDAC4 (0.47) HDAC4HDAC2HDAC8KMOENPP2
SCHEMBL3784993 0.92 ENPP2 (0.48) HDAC4HDAC2HDAC8KMOENPP2
SCHEMBL32669062 0.85 ENPP2 (0.42) HDAC4HDAC2HDAC8KMOENPP2
SCHEMBL3790896 0.81 HDAC8 (0.37) HDAC4HDAC2HDAC8KMOKDM4E
SCHEMBL778529 0.81 HDAC4 (0.63) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL29954777 0.81 ENPP2 (0.45) HDAC4ENPP2KDM4EALDH1A1MGLL
SCHEMBL3789096 0.79 KMO (0.39) HDAC4HDAC2HDAC8KMOKDM4E
Hydrogen Peroxide SCHEMBL11391460 0.79 KMO (0.71) HDAC4HDAC2HDAC8KMOKDM4E
SCHEMBL19384201 0.79 ENPP2 (0.40) HDAC4HDAC2HDAC8ENPP2KDM4E

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

“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.