SCHEMBL6806575

SCHEMBL6806575

COc1cccc(OC)c1C(=O)Nc1ccc(CC(C(=O)O)N2C(=O)N(Cc3ccccc3)C3(CCCCC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ITGB1 P05556 13/20 0.45
ITGA4 P13612 13/20 0.45
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6803860 0.89 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL6808212 0.88 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL6803592 0.88 ITGB1 (0.46) ALDH1A1ITGB1ITGA4MAPTGFER
SCHEMBL6807361 0.81 MAPT (0.47) ALDH1A1ITGB1ITGA4MAPTGFER
SCHEMBL6802062 0.78 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL6803246 0.77 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7100820 0.76 POLB (0.41) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL7106166 0.71 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7101396 0.70 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL1825542 0.70 ITGB1 (0.42) ALDH1A1ITGB1ITGA4MAPTLMNA

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 ALDH1A1 283/4885ITGB1 55/4885ITGA4 221/4885

“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.