SCHEMBL19685968

SCHEMBL19685968

Cc1cn(C)c2cc(N3c4ccc(F)cc4-c4ccccc4Oc4ccccc4-c4cc(F)ccc43)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GSK3B P49841 4/20 0.33
THRB P10828 2/20 0.33
TP53 P04637 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
BRD4 O60885 2/20 0.31
PRKCA P17252 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19685861 0.90 TP53 (0.35) NR1H2NR1H3GSK3BTHRBTP53
SCHEMBL19685863 0.90 MEN1 (0.35) NR1H2NR1H3TP53BRD4ALDH1A1
SCHEMBL19685877 0.88 MAPK8 (0.37) ATMNR1H2NR1H3BRD4MEN1
SCHEMBL19686088 0.85 BRD4 (0.38) NR1H2NR1H3BRD4ALDH1A1KDM4E
SCHEMBL19685917 0.83 ATM (0.34) ATMGSK3BTHRBTP53CCNE2
SCHEMBL19685683 0.81 KDM4E (0.38) NR1H2NR1H3TP53ALDH1A1MEN1
SCHEMBL19686363 0.78 MIF (0.33) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL19685880 0.77 LMNA (0.38) NR1H2NR1H3TP53ALDH1A1MEN1
SCHEMBL19686362 0.77 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL19685864 0.76 EGLN1 (0.31) ALDH1A1

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-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS ATM 4045/4885NR1H2 3066/4885NR1H3 3293/4885

“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.