SCHEMBL5337930

SCHEMBL5337930

CC(C)(C)C1CCC(=O)C(O[SiH](c2ccccc2)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 2/20 0.30
SLC18A3 Q16572 2/20 0.30
CDC25B P30305 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL983646 0.77
SCHEMBL5342530 0.75 GLA (0.40) NPC1RAB9ACYP3A4CYP2C19TP53
SCHEMBL5345011 0.75 GLA (0.40) NPC1RAB9ACYP3A4CYP2C19TP53
SCHEMBL14297450 0.74 CHRNA7 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9354690 0.71 MAPT (0.41) NPC1RAB9AGLAALDH1A1MEN1
SCHEMBL11475394 0.70 DDB1 (0.40) NPC1RAB9ACYP3A4CYP2C19TP53
SCHEMBL14697294 0.70 NPC1 (0.37) NPC1RAB9ATP53HPGDHSD17B10
SCHEMBL14297438 0.69 SMN1; SMN2 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL14297474 0.69 SMN1; SMN2 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL27268764 0.67

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 NPC1 3652/4885RAB9A 2799/4885CYP3A4 249/4885

“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.