SCHEMBL4516687

SCHEMBL4516687

CC(=O)c1c(O)cccc1OCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
THRB P10828 1/20 0.50
SLC28A3 Q9HAS3 2/20 0.48
RIPK1 Q13546 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PTPN1 P18031 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL5088675 0.93 NFKB1 (0.60) MAOBNFKB1NFKB2RELATHRB
SCHEMBL7405753 0.85 PDE4B (0.47) NFKB1NFKB2RELARIPK1CA12
SCHEMBL13936012 0.85 NFKB1 (0.45) MAOBNFKB1NFKB2RELARIPK1
SCHEMBL30167558 0.82 ALDH1A1 (0.53) MAOBNFKB1NFKB2RELATHRB
SCHEMBL10809170 0.82 ALDH1A1 (0.53) MAOBNFKB1NFKB2RELATHRB
SCHEMBL12009587 0.80 MAOB (0.63) MAOBNFKB1NFKB2RELATHRB
SCHEMBL4946009 0.80 MAOB (0.50) MAOBCA9
SCHEMBL1448829 0.79 MAOB (0.61) MAOBTHRBSLC28A3CA12CA1
SCHEMBL29788611 0.79 MAOB (0.61) MAOBTHRBSLC28A3CA12CA1
SCHEMBL20207066 0.78 RIPK1 (0.40) NFKB1NFKB2RELARIPK1PDE4A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7410986-B2 4-6-diphenyl pyridine derivatives as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 2008-08-12 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 US disclosed
EP-1487842-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME Bayer HealthCare AG (DE) 2004-12-22 EP disclosed
US-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
WO-2003076447-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2003-09-18 WO disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
WO-2002024651-A1 A PROCESS FOR PRODUCING 2-AMINO-4,6-DISUBSTITUTED NICOTINIC ACID ESTER ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed
WO-2002024693-A1 A PROCESS FOR PRODUCING 3,4-DIHYDRO NAPHTHYRIDINONE ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 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 (3 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-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents IL6, HRH4, CXCR6 MAOB 2657/4885NFKB1 119/4885NFKB2 171/4885
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A MAOB 2162/4885NFKB1 19/4885NFKB2 24/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A MAOB 2281/4885NFKB1 14/4885NFKB2 13/4885

“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.