SCHEMBL745085

SCHEMBL745085

COc1cc(OC)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1CN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.62
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KRAS P01116 1/20 0.47

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
SCHEMBL7029785 0.91 KDM4E (0.55) ABCB1KDM4EALDH1A1HPGDMAPT
SCHEMBL742054 0.87 ABCB1 (0.63) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL744489 0.87 ABCB1 (0.56) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL745081 0.86 ABCB1 (0.57) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL746093 0.86 ABCB1 (0.63) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL743214 0.85 ABCB1 (0.65) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL744982 0.85 ABCB1 (0.62) ABCB1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL744930 0.84 ABCB1 (0.65) ABCB1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL745404 0.82 MAPT (0.53) ABCB1KDM4EALDH1A1MAPTLMNA
SCHEMBL20858998 0.80 KDM4E (0.52) ABCB1KDM4EALDH1A1HPGDMAPT

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 2307/4885KDM4E 843/4885ALDH1A1 2643/4885

“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.