SCHEMBL2272206

SCHEMBL2272206

C=CC1CCC([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
ESR2 Q92731 4/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
HDAC2 Q92769 1/20 0.33
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2272212 1.00 SLC18A3 (0.41) SLC18A3ESR2MAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL2272215 1.00 SLC18A3 (0.41) SLC18A3ESR2MAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL20220303 0.94 SLC18A3 (0.44) SLC18A3ESR2MAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL6451733 0.85 SLC18A3 (0.35) SLC18A3MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL6451730 0.85 SLC18A3 (0.35) SLC18A3MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL9165916 0.82 MAP1LC3B (0.34) ESR2MAP1LC3BALDH1A1SMN1; SMN2ATM
SCHEMBL2270988 0.82 SLC18A3 (0.41) SLC18A3ESR2MAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL9252561 0.82 MAP1LC3B (0.34) ESR2MAP1LC3BALDH1A1SMN1; SMN2ATM
SCHEMBL12152528 0.82 HDAC2 (0.33) ESR2HDAC2POLBESR1CYP3A4
SCHEMBL20967223 0.82 SLC18A3 (0.41) SLC18A3ESR2MAP1LC3BALDH1A1SMN1; SMN2

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 4 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-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 SLC18A3 2298/4885ESR2 852/4885MAP1LC3B 3038/4885

“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.