SCHEMBL6354846

SCHEMBL6354846

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)Nc2ccc(CCc3ccccc3C)cc2)CC(C)C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.49
ITGA4 P13612 5/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL6344072 0.90 POLB (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6346739 0.88 ITGB1 (0.48) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6789455 0.88 ITGB1 (0.47) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6345390 0.88 POLB (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6343632 0.86 ITGB1 (0.60) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6788398 0.86 POLB (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6344930 0.84 POLB (0.52) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6352842 0.84 POLB (0.47) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6352839 0.84 POLB (0.47) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6346179 0.83 ITGB3 (0.50) ITGB1ITGA4POLBSMN1; SMN2ITGB3

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-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US claimed

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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ITGB1 11/4885ITGA4 37/4885POLB 4750/4885

“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.