SCHEMBL744982

SCHEMBL744982

COc1cc(OC)c(C(=O)/C=C/c2cccc(C)c2)c(O)c1CN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.62
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL20858997 0.94 ABCB1 (0.57) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL13075856 0.94 ABCB1 (0.57) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL7029762 0.91 ABCB1 (0.55) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL743214 0.91 ABCB1 (0.65) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL7030123 0.91 ABCB1 (0.57) ABCB1
SCHEMBL744930 0.90 ABCB1 (0.65) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL744489 0.90 ABCB1 (0.56) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL742054 0.86 ABCB1 (0.63) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL20858986 0.85 ABCB1 (0.58) ABCB1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL745081 0.85 ABCB1 (0.57) ABCB1SMN1; SMN2MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP disclosed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 WO 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 2307/4885SMN1; SMN2 2627/4885MAPT 3525/4885

“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.