SCHEMBL6312233

SCHEMBL6312233

COc1ccccc1-c1cc(Sc2cc(-c3ccccc3OC)c(/C=C/C(=O)N3CCCCC3)c(Cl)c2Cl)c(Cl)c(Cl)c1/C=C/C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ITGAL P20701 9/20 0.52
ITGB2 P05107 5/20 0.52
ICAM1 P05362 5/20 0.52
TRPV1 Q8NER1 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.46
MAOA P21397 2/20 0.46
ACHE P22303 2/20 0.46
MAOB P27338 2/20 0.46
PTGS2 P35354 2/20 0.46
APP P05067 2/20 0.45

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
SCHEMBL6199471 0.90 ITGAL (0.50) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6308774 0.90 ITGAL (0.51) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6196146 0.89 TDP1 (0.52) HPGDITGALITGB2ICAM1KMT2A
SCHEMBL6200934 0.88 ITGAL (0.66) ITGALITGB2ICAM1KDM4EPTGS2
SCHEMBL6202393 0.86 ITGAL (0.47) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6311167 0.85 ITGAL (0.54) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6318682 0.84 ITGAL (0.45) HPGDITGALITGB2ICAM1
SCHEMBL6197144 0.83 ITGAL (0.44) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6199584 0.82 ITGAL (0.53) ITGALITGB2ICAM1KDM4EALDH1A1
SCHEMBL7639567 0.82 HPGD (0.55) HPGDITGALITGB2ICAM1TRPV1

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
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM HPGD 1531/4885ITGAL 57/4885ITGB2 32/4885

“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.