SCHEMBL6808082

SCHEMBL6808082

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1C(C(C)C)CCCC1C(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ITGB2 P05107 5/20 0.35
ICAM1 P05362 5/20 0.35
ITGAL P20701 5/20 0.35
ITGA4 P13612 3/20 0.35
ITGB7 P26010 2/20 0.35
KMT2A Q03164 2/20 0.34
ITGB1 P05556 2/20 0.34
MEN1 O00255 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6808223 0.91 ITGA4 (0.38) ECE1ALDH1A1TSHRITGB2ICAM1
SCHEMBL6804077 0.90 ITGB2 (0.44) ALDH1A1ITGB2ICAM1ITGALITGA4
SCHEMBL6804283 0.89 ITGB2 (0.41) ITGB2ICAM1ITGALITGA4ITGB7
SCHEMBL6808899 0.86 KMT2A (0.41) ECE1ITGB2ICAM1ITGALITGA4
SCHEMBL6802705 0.85 KMT2A (0.42) ITGB2ICAM1ITGALITGA4KMT2A
SCHEMBL7538530 0.84 ITGB2 (0.48) ALDH1A1ITGB2ICAM1ITGALITGA4
SCHEMBL6917549 0.83 MEN1 (0.42) ECE1ALDH1A1ITGA4ITGB7KMT2A
SCHEMBL6801508 0.83 ECE1 (0.38) ECE1ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6807848 0.82 TACR1 (0.40) ECE1ALDH1A1TSHRITGB2ICAM1
SCHEMBL6807437 0.82 ITGA4 (0.41) ECE1ALDH1A1ITGB2ICAM1ITGAL

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ECE1 592/4885ALDH1A1 283/4885TSHR 4842/4885

“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.