SCHEMBL18384641

SCHEMBL18384641

COC(=O)c1cc2c(OC)c(OC)cc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIM1 P11309 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 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
SCHEMBL18384659 0.88 CA12 (0.53) TSHRLMNAKDM4EPOLBCA12
SCHEMBL18384628 0.87 KDM4E (0.46) TSHRLMNAKDM4EPOLBMAPT
SCHEMBL18384642 0.84 LMNA (0.39) TSHRLMNAKDM4EPOLBMAPT
SCHEMBL18384630 0.82 LMNA (0.57) LMNAKDM4EPOLBMAPTHTT
SCHEMBL18384626 0.81 LMNA (0.54) LMNAKDM4EMAPTMAPK1PDE4A
SCHEMBL18391655 0.79 TSHR (0.37) TSHRLMNAKDM4EPOLBMAPT
SCHEMBL21230567 0.78 KDM4E (0.53) TSHRLMNAKDM4EPOLBCA12
SCHEMBL18384629 0.78 KDM4E (0.46) TSHRLMNAKDM4EPOLBCA12
SCHEMBL18384646 0.77 GAA (0.42) TSHRLMNAKDM4EPOLBMAPK1
SCHEMBL18391717 0.76 TSHR (0.38) TSHRLMNAKDM4EMAPTMAPK1

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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 TSHR 2047/4885LMNA 4786/4885KDM4E 2727/4885

“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.