SCHEMBL1553734

SCHEMBL1553734

COc1ccc(C(=O)O)c2[nH]c(C(OC)c3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.44
DHODH Q02127 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CDC25B P30305 1/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK2 O96017 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL8575525 0.99 MLKL (0.43) MLKLDHODHKDM4EHPGDALDH1A1
SCHEMBL8575517 0.91 MLKL (0.40) MLKLDHODHHPGDALDH1A1PDE4A
SCHEMBL1553667 0.91 MLKL (0.40) MLKLDHODHKDM4EHPGDALDH1A1
SCHEMBL1553545 0.87 PDE4A (0.41) DHODHKDM4EHPGDALDH1A1PDE10A
SCHEMBL1553662 0.83 KDM4C (0.38) DHODHKDM4EHPGDALDH1A1PDE10A
SCHEMBL1553461 0.83 ADRB1 (0.41) DHODHKDM4EHPGDALDH1A1PDE10A
SCHEMBL1554484 0.82 PDE4A (0.53) DHODHKDM4EHPGDALDH1A1PDE10A
SCHEMBL1553351 0.82 PDE4A (0.38) DHODHKDM4EHPGDALDH1A1PDE10A
Hydrochloric Acid SCHEMBL8574445 0.81 PDE4A (0.52) DHODHKDM4EHPGDALDH1A1PDE10A
SCHEMBL1554268 0.81 PDE4D (0.64) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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 (2 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR MLKL 3539/4885DHODH 609/4885KDM4E 3056/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 MLKL 4710/4885DHODH 3446/4885KDM4E 2408/4885

“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.