SCHEMBL12371053

SCHEMBL12371053

CCCCC1CCC(COc2ccc(C3CCC(C4CC(=O)O4)CC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.39
CRBN Q96SW2 1/20 0.38
CYP2C9 P11712 2/20 0.38
S1PR3 Q99500 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ACACB O00763 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL12371041 0.82 ALDH1A1 (0.43) RAB9ANPC1CRBNMAOAMAOB
SCHEMBL10763512 0.82 RAB9A (0.50) RAB9ANPC1CRBNCYP2C9S1PR3
SCHEMBL10763505 0.82 RAB9A (0.50) RAB9ANPC1CRBNCYP2C9S1PR3
SCHEMBL15316549 0.81 CYP2C9 (0.45) RAB9ACYP2C9S1PR3HRH3LMNA
SCHEMBL9625885 0.80 RAB9A (0.53) RAB9ANPC1CRBNCYP2C9HRH3
SCHEMBL9625887 0.80 RAB9A (0.53) RAB9ANPC1CRBNCYP2C9HRH3
SCHEMBL10770049 0.80 RAB9A (0.48) RAB9ANPC1CRBNCYP2C9S1PR3
SCHEMBL10760330 0.80 RAB9A (0.48) RAB9ANPC1CRBNCYP2C9S1PR3
SCHEMBL10770047 0.80 RAB9A (0.48) RAB9ANPC1CRBNCYP2C9S1PR3
SCHEMBL10760324 0.80 RAB9A (0.48) RAB9ANPC1CRBNCYP2C9S1PR3

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-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 4534/4885CRBN 2942/4885

“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.