SCHEMBL7027683

SCHEMBL7027683

COc1cc(CO)c(CN2CCCCC2)c(O)c1C(=O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.58
ACHE P22303 1/20 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
SCHEMBL7027820 0.91 ABCB1 (0.56) ABCB1ACHE
SCHEMBL7030120 0.91 ABCB1 (0.67) ABCB1
SCHEMBL7027816 0.90 ABCB1 (0.58) ABCB1
SCHEMBL7026331 0.90 ABCB1 (0.49) ABCB1
SCHEMBL20858993 0.89 ABCB1 (0.60) ABCB1ACHE
SCHEMBL7028453 0.85 ABCB1 (0.47) ABCB1
SCHEMBL7028459 0.85 ABCB1 (0.56) ABCB1ACHE
SCHEMBL7029566 0.85 ABCB1 (0.46) ABCB1
SCHEMBL20858971 0.84 ABCB1 (0.56) ABCB1ACHE
SCHEMBL744930 0.82 ABCB1 (0.65) ABCB1

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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 ABCB1 2307/4885ACHE 1694/4885

“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.