SCHEMBL4944704

SCHEMBL4944704

CCOC(=O)C1(c2cccc(OCc3ccccc3)c2)CC1(Br)Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.49
MAOB P27338 3/20 0.47
NR4A2 P43354 1/20 0.46
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13764639 0.88 ADAM17 (0.59) ADAM17MAOBNR4A2
SCHEMBL6440684 0.82 ALOX5 (0.56) ADAM17MAOBNR4A2ALOX5KDM4E
SCHEMBL7807431 0.81 ALOX5 (0.55) ADAM17MAOBALOX5KDM4E
SCHEMBL24901890 0.80 ADAM17 (0.49) ADAM17MAOBNR4A2MEN1HSP90AA1
SCHEMBL7810873 0.78 ALOX5 (0.67) ADAM17LMNAALOX5KDM4EALDH1A1
SCHEMBL24901886 0.73 MAPT (0.51) ADAM17MAOBPOLBLMNAL3MBTL1
SCHEMBL11842414 0.72 POLB (0.48) ADAM17MAOBNR4A2MEN1HSP90AA1
SCHEMBL30769282 0.72 PTGES (0.48) ADAM17MAOBNR4A2POLBLMNA
SCHEMBL6384064 0.72 MRGPRX4 (0.49) ADAM17MAOBNR4A2POLBLMNA
SCHEMBL3553390 0.72 MEN1 (0.42) ADAM17MAOBNR4A2MEN1HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA ADAM17 4113/4885MAOB 3322/4885NR4A2 102/4885

“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.