SCHEMBL20064643

SCHEMBL20064643

COc1ccccc1O[C@H]1C[C@H](C(=O)OC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HPGD P15428 2/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL21222436 1.00 EPHX2 (0.46) EPHX2LPAR1LPAR5SMN1; SMN2CA12
SCHEMBL21222001 0.86 SLC6A4 (0.53) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL20064287 0.86 SLC6A4 (0.53) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL20064314 0.85 PDE4A (0.48) EPHX2LPAR1LPAR5SMN1; SMN2CA12
SCHEMBL21222345 0.85 PDE4A (0.48) EPHX2LPAR1LPAR5SMN1; SMN2CA12
SCHEMBL21222343 0.85 PDE4A (0.48) EPHX2LPAR1LPAR5SMN1; SMN2CA12
SCHEMBL20064629 0.85 NR1I2 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL21222052 0.85 NR1I2 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL24110729 0.84 ALDH1A1 (0.38) EPHX2SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL21222505 0.84 KCNK3 (0.40) EPHX2PDE4BPDE4DALDH1A1

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 5 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-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
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 EPHX2 436/4885LPAR1 1448/4885LPAR5 2258/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 EPHX2 436/4885LPAR1 1448/4885LPAR5 2258/4885

“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.