SCHEMBL19636340

SCHEMBL19636340

CC(C)(C)c1cc(C(C)(C)C)n(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GRN P28799 3/20 0.37
SORT1 Q99523 3/20 0.37
POLB P06746 1/20 0.35
CDK8 P49336 2/20 0.35
AURKA O14965 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
LTK P29376 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 4/20 0.30
MAPK13 O15264 3/20 0.30
MAPK12 P53778 3/20 0.30
MAPK11 Q15759 3/20 0.30

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
SCHEMBL18513046 0.77 KDM4E (0.38) KDM4EPOLBCDK8AURKACSF1R
SCHEMBL821308 0.74 KDM4E (0.52) KDM4EGRNSORT1MAPK14MAPK13
SCHEMBL10156873 0.73 GRN (0.37) KDM4EGRNSORT1POLBCDK8
SCHEMBL31688301 0.71 KDM4E (0.36) KDM4EGRNSORT1POLB
SCHEMBL15069896 0.70 GRN (0.35) KDM4EGRNSORT1POLBMAPK14
SCHEMBL7249740 0.70 GRN (0.35) KDM4EGRNSORT1POLB
SCHEMBL15069883 0.70 GRN (0.38) KDM4EGRNSORT1ALDH1A1
SCHEMBL18496476 0.67 MAPK14 (0.50) GRNSORT1CDK8ALDH1A1MAPK14
SCHEMBL716572 0.67 KDM4E (0.33) KDM4EGRNSORT1MAPK14MAPK13
SCHEMBL2060008 0.67 GRN (0.49) KDM4EGRNSORT1CDK8AURKA

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-20170334835-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-23 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-20170334835-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing CCKAR, PAM, CNR1 KDM4E 2939/4885GRN 2763/4885SORT1 4447/4885

“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.