SCHEMBL3787214

SCHEMBL3787214

CC(C)(C)C(=O)Nc1cccc(B(O)O)c1NC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 5/20 0.42
ALOX12 P18054 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 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
SCHEMBL30525296 0.86 CETP (0.59) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL29469256 0.84 CETP (0.59) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL383919 0.84 CETP (0.59) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL3788778 0.81 CETP (0.54) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL3793230 0.78 PDK1 (0.55) CETPL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL3792891 0.77 ALDH1A1 (0.48) KDM4EALDH1A1RAB9ACYP1A2POLB
SCHEMBL3780741 0.76 RXFP1 (0.43) LMNARAB9APOLBMEN1KMT2A
SCHEMBL5706504 0.76 CETP (0.71) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL3084418 0.75 LMNA (0.60) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL27647712 0.75 KDM4E (0.58) CETPL3MBTL1KDM4EALOX12LMNA

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 CETP 3397/4885L3MBTL1 3838/4885KDM4E 2606/4885

“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.