SCHEMBL20064284

SCHEMBL20064284

COC(=O)[C@H]1C[C@H](Oc2ccc(F)c3cccnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MPI P34949 1/20 0.42
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4D Q08499 4/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNMA1 Q12791 1/20 0.38
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.37
AR P10275 2/20 0.37
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL21222053 0.87 KDM4E (0.44) KDM4EL3MBTL1MPITP53GAA
SCHEMBL20064220 0.87 KDM4E (0.44) KDM4EL3MBTL1MPITP53GAA
SCHEMBL21222140 0.81 MAPT (0.49) KDM4EL3MBTL1ALDH1A1
SCHEMBL20064140 0.81 MAPT (0.49) KDM4EL3MBTL1ALDH1A1
SCHEMBL21222280 0.80 RECQL (0.42) TP53ALDH1A1TDP1
SCHEMBL20064662 0.80 RECQL (0.42) TP53ALDH1A1TDP1
SCHEMBL21222357 0.79 ALDH1A1 (0.40) ALDH1A1PDE4DPDE4APDE4BPDE4C
SCHEMBL21222358 0.79 ALDH1A1 (0.40) ALDH1A1PDE4DPDE4APDE4BPDE4C
SCHEMBL21222352 0.78 AR (0.40) GAAALDH1A1AR
SCHEMBL21222353 0.78 AR (0.40) GAAALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (2 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 KDM4E 2350/4885L3MBTL1 3465/4885MPI 1393/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 KDM4E 2350/4885L3MBTL1 3465/4885MPI 1393/4885

“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.