SCHEMBL7026784

SCHEMBL7026784

COc1cc(CO)c(C2=CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.49
ABCG2 Q9UNQ0 3/20 0.44
CXCL12 P48061 1/20 0.42
CXCR4 P61073 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDPK1 O15530 1/20 0.40
TTR P02766 1/20 0.40
ALOX5 P09917 1/20 0.40
QDPR P09417 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 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
SCHEMBL7027366 0.93 PDPK1 (0.47) ABCB1ABCG2MAPTNPSR1TDP1
SCHEMBL7028113 0.93 MAPT (0.43) ABCB1ABCG2CXCL12MAPTNPSR1
SCHEMBL7030660 0.92 TDP1 (0.50) ABCB1ABCG2CXCL12MAPTNPSR1
SCHEMBL7029104 0.91 TP53 (0.43) ABCB1ABCG2CXCL12MAPTNPSR1
SCHEMBL7026486 0.91 MAPT (0.53) ABCB1MAPTNPSR1MAOBMAOA
SCHEMBL744120 0.91 ABCB1 (0.52) ABCB1ABCG2CXCL12CXCR4MAPT
SCHEMBL7025976 0.91 ABCB1 (0.51) ABCB1CXCL12MAPTNPSR1MAOB
SCHEMBL7028278 0.90 ABCB1 (0.51) ABCB1ABCG2MAPTNPSR1MAOB
SCHEMBL7027458 0.89 ABCB1 (0.41) ABCB1ABCG2MAPTNPSR1TDP1
SCHEMBL7028325 0.88 ABCB1 (0.48) ABCB1ABCG2MAPT

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 2307/4885ABCG2 2761/4885CXCL12 2187/4885

“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.