SCHEMBL21228016

SCHEMBL21228016

COc1ccc(F)cc1O[C@H]1C[C@H](C(=O)OC)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PDE4D Q08499 9/20 0.43
PDE4B Q07343 8/20 0.43
PDE4A P27815 7/20 0.43
PDE4C Q08493 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL20064128 0.94 GLRA3 (0.42) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21222564 0.94 GLRA3 (0.42) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21222626 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSLC6A2
SCHEMBL20064124 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSLC6A2
SCHEMBL21222421 0.87 PDE4A (0.52) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21227929 0.87 SMN1; SMN2 (0.52) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21222609 0.87 FFAR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL21227833 0.87 PDE4D (0.43) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21222420 0.87 PDE4A (0.52) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL21222608 0.87 FFAR1 (0.41) SLC6A2SLC6A4SLC6A3

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 2 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

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 POLB 1254/4885PDE4D 246/4885PDE4B 457/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 POLB 1254/4885PDE4D 246/4885PDE4B 457/4885

“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.