SCHEMBL5345011

SCHEMBL5345011

CC(C)(C)[C@@H]1CCC(=O)[C@H](ONc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GFER P55789 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
KDM4E B2RXH2 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5342530 1.00 GLA (0.40) GLANPC1RAB9AMAPTGAA
SCHEMBL14369909 0.82 ALDH1A1 (0.41) NPC1RAB9AMAPTALDH1A1GFER
SCHEMBL14369908 0.82 ALDH1A1 (0.41) NPC1RAB9AMAPTALDH1A1GFER
SCHEMBL5528790 0.80 ALDH1A1 (0.40) RAB9AMAPTALDH1A1GFERHPGD
SCHEMBL5344632 0.75 BACE1 (0.35) ALDH1A1GFER
SCHEMBL5337630 0.75 BACE1 (0.35) ALDH1A1GFER
SCHEMBL5337930 0.75 NPC1 (0.36) GLANPC1RAB9AMAPTALDH1A1
SCHEMBL5528287 0.74 ALDH1A1 (0.44) NPC1RAB9AMAPTGAAALDH1A1
SCHEMBL14297450 0.74 CHRNA7 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14399277 0.74 TLR4 (0.44) NPC1RAB9AMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 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-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO GLA 986/4885NPC1 3652/4885RAB9A 2799/4885

“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.