SCHEMBL12371016

SCHEMBL12371016

O=C1CC(C2CCC(c3ccc(-c4cc(F)cc(F)c4)cc3)CC2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.37
TNKS2 Q9H2K2 6/20 0.37
NOTUM Q6P988 2/20 0.35
PARP1 P09874 4/20 0.35
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PGR P06401 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32

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
SCHEMBL12371011 0.89 NOTUM (0.34) TNKSTNKS2NOTUMPARP1NPC1
SCHEMBL12370993 0.86 MAP1LC3B (0.39) NOTUMTDP1MAOB
SCHEMBL12371035 0.86 NPY5R (0.33)
SCHEMBL12371018 0.86 GRM2 (0.35) TNKSTNKS2NOTUMPARP1NPC1
SCHEMBL12370943 0.85 MAP1LC3B (0.38) NOTUMTDP1MAOB
SCHEMBL12370962 0.85 GRM2 (0.34) TNKSTNKS2NOTUMPARP1NPC1
SCHEMBL12371032 0.84 NOTUM (0.38) NOTUMNPC1RAB9A
SCHEMBL12395782 0.82 ESR2 (0.47) NPC1RAB9A
SCHEMBL28558782 0.81 NPC1 (0.43) TNKSTNKS2NOTUMPARP1KCNH2
SCHEMBL12370982 0.79 USP5 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 TNKS 2539/4885TNKS2 1507/4885NOTUM 3482/4885

“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.