SCHEMBL12371008

SCHEMBL12371008

COC(=O)c1ccc(C2CCC(C3CC(=O)O3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ATM Q13315 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13267179 0.82 ALDH1A1 (0.55) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12371032 0.82 NOTUM (0.38) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL12371020 0.81 NPC1 (0.43) NPC1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL12371048 0.80 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL12371067 0.78 KDM4E (0.40) HTTRAB9AALDH1A1HSD17B10HPGD
SCHEMBL12371000 0.78 MAP1LC3B (0.40) SMN1; SMN2ALDH1A1HPGDATMMEN1
SCHEMBL9628155 0.78 NPC1 (0.49) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9481208 0.78 NPC1 (0.49) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12371065 0.77 SPHK1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2273765 0.77 MAP1LC3B (0.39) SMN1; SMN2ALDH1A1HPGDATMMEN1

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 HTT 4040/4885SMN1; SMN2 4528/4885NPC1 4534/4885

“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.