SCHEMBL2277758

SCHEMBL2277758

CCC[C@H]1CC[C@H]([C@H]2CC[C@@H](C3CC(=O)O3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
TLR4 O00206 2/20 0.40
AKT1 P31749 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2273779 1.00 CYP1A2 (0.41) CYP1A2TLR4AKT1SMN1; SMN2PPARG
SCHEMBL2273773 1.00 CYP1A2 (0.41) CYP1A2TLR4AKT1SMN1; SMN2PPARG
SCHEMBL2277755 1.00 CYP1A2 (0.41) CYP1A2TLR4AKT1SMN1; SMN2PPARG
SCHEMBL2273782 1.00 CYP1A2 (0.41) CYP1A2TLR4AKT1SMN1; SMN2PPARG
SCHEMBL2270788 0.91 CYP1A2 (0.47) CYP1A2TLR4AKT1PPARGLMNA
SCHEMBL2270785 0.91 CYP1A2 (0.47) CYP1A2TLR4AKT1PPARGLMNA
SCHEMBL2270903 0.90 CYP1A2 (0.54) CYP1A2PPARGCYP2C9MAPTKMT2A
SCHEMBL2277253 0.90 CYP1A2 (0.54) CYP1A2PPARGCYP2C9MAPTKMT2A
SCHEMBL15086803 0.90 CYP1A2 (0.54) CYP1A2PPARGCYP2C9MAPTKMT2A
SCHEMBL2273086 0.90 CYP1A2 (0.54) CYP1A2PPARGCYP2C9MAPTKMT2A

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 CYP1A2 40/4885TLR4 2044/4885AKT1 1889/4885

“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.