SCHEMBL5528287

SCHEMBL5528287

O=C1CCCC1ONc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CA1 P00915 3/20 0.41
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 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
SCHEMBL5336920 0.95 KDM4E (0.49) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL809416 0.95 KDM4E (0.49) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL814580 0.95 KDM4E (0.49) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL5534175 0.93 KDM4E (0.48) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL5350543 0.93 KDM4E (0.48) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL5350552 0.93 KDM4E (0.48) ALDH1A1KDM4ECA1MAPTPOLB
SCHEMBL5528790 0.89 ALDH1A1 (0.40) ALDH1A1KDM4ECA1MAPTGFER
SCHEMBL5534186 0.82 CA1 (0.42) ALDH1A1KDM4ECA1GFERPOLB
SCHEMBL14369908 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ECA1MAPTGFER
SCHEMBL14369909 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ECA1MAPTGFER

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH ALDH1A1 2256/4885KDM4E 1108/4885CA1 3230/4885

“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.