SCHEMBL20064252

SCHEMBL20064252

COC(=O)[C@H]1C[C@H](Oc2ccccc2OC(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 3/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2J2 P51589 2/20 0.39
SCN9A Q15858 2/20 0.39
HSD11B1 P28845 2/20 0.38
HSD11B2 P80365 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CFD P00746 1/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL21222505 1.00 KCNK3 (0.40) KCNK3KCNK9ALDH1A1L3MBTL1EPHX2
SCHEMBL20064250 0.84 RXRA (0.43) EPHX2SSTR1SSTR4CYP2C9CYP2J2
SCHEMBL21222440 0.84 RXRA (0.43) EPHX2SSTR1SSTR4CYP2C9CYP2J2
SCHEMBL21222436 0.84 EPHX2 (0.46) ALDH1A1EPHX2PDE4BPDE4D
SCHEMBL20064643 0.84 EPHX2 (0.46) ALDH1A1EPHX2PDE4BPDE4D
SCHEMBL21222052 0.82 NR1I2 (0.43) PDE4BPDE4D
SCHEMBL20064629 0.82 NR1I2 (0.43) PDE4BPDE4D
SCHEMBL21222001 0.80 SLC6A4 (0.53) EPHX2PDE4BPDE4D
SCHEMBL20064287 0.80 SLC6A4 (0.53) EPHX2PDE4BPDE4D
SCHEMBL24110729 0.78 ALDH1A1 (0.38) ALDH1A1EPHX2GAACHRNB2CHRNA4

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 KCNK3 3957/4885KCNK9 3859/4885ALDH1A1 222/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 KCNK3 3957/4885KCNK9 3859/4885ALDH1A1 222/4885

“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.