SCHEMBL12371069

SCHEMBL12371069

CCCCCCc1ccc(-c2ccc(C3CCC(C4CC(=O)O4)CC3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SPHK1 Q9NYA1 8/20 0.46
MAPK1 P28482 1/20 0.46
SPHK2 Q9NRA0 4/20 0.41

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
SCHEMBL12371019 0.86 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL12371055 0.86 SPHK1 (0.60) KDM4EALDH1A1SPHK1SPHK2
SCHEMBL12371071 0.84 SPHK1 (0.58) ALDH1A1SPHK1SPHK2
SCHEMBL9805581 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9805362 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9805344 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10471430 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9805569 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9805350 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10471431 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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 RAB9A 1699/4885NPC1 4534/4885SMN1; SMN2 4528/4885

“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.