SCHEMBL7030422

SCHEMBL7030422

COc1cc(CO)c(CN2CCOCC2)c(O)c1C(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.55
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
PDPK1 O15530 1/20 0.44
TTR P02766 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7028356 0.92 MAPT (0.53) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7027749 0.92 KDM4E (0.60) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7026426 0.91 MAPT (0.52) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL746093 0.91 ABCB1 (0.63) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7027820 0.91 ABCB1 (0.56) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7029785 0.87 KDM4E (0.55) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7029762 0.86 ABCB1 (0.55) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7027864 0.86 ABCB1 (0.56) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7027902 0.83 MAPT (0.51) ABCB1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7028453 0.83 ABCB1 (0.47) ABCB1MAPTPDPK1TTRALOX5

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 2307/4885MAPT 3525/4885KDM4E 843/4885

“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.