SCHEMBL11913991

SCHEMBL11913991

CCCN(CC(COc1ccccc1/C(=C/Cc1ccccc1)OC(=O)CCC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.33
▸ KLK5 Q9Y337 1/20 0.30

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
SCHEMBL11913988 0.88 MEN1 (0.39) ABCB1KLK5
SCHEMBL11913986 0.85 ABCB1 (0.42) ABCB1
SCHEMBL10277330 0.82 MEN1 (0.40) ABCB1
SCHEMBL11913983 0.79 ABCB1 (0.48) ABCB1
SCHEMBL10277143 0.78 ABCB1 (0.54) ABCB1
SCHEMBL11918305 0.75 ABCB1 (0.42) ABCB1
SCHEMBL1666846 0.69 ABCB1 (0.54) ABCB1
SCHEMBL11913957 0.69 ABCB1 (0.54) ABCB1
SCHEMBL1669812 0.63 ABCB1 (0.74) ABCB1
SCHEMBL22649442 0.61 KLK5 (0.54) KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ABCB1 75/4885KLK5 3147/4885

“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.

Send feedback