SCHEMBL3799622

SCHEMBL3799622

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.41
PLA2G5 P39877 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.38
CACNA1H O95180 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HTR4 Q13639 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
SCHEMBL3470166 1.00 PLA2G10 (0.41) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL27147241 1.00 PLA2G10 (0.41) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL10063507 0.92 HSD17B10 (0.42) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL13160713 0.92 PLA2G10 (0.40) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL29341696 0.92 KMT2A (0.41) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL16749946 0.92 HSD17B10 (0.42) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL1041478 0.92 HSD17B10 (0.42) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL14680626 0.92 PLA2G10 (0.38) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL6450457 0.92 CHRM2 (0.38) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL13659005 0.92 PLA2G10 (0.40) PLA2G10PLA2G5CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234450-A1 Molecular targeting agents UNIVERSITY OF IOWA RESEARCH FOUNDATION 2010-09-16 US disclosed
US-6995247-B2 Ac-HEHA and related compounds, methods of synthesis and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-02-07 US disclosed
US-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use THE GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY, DPT. OF HEALTH AND HUMAN SERVICES 2004-09-23 US disclosed
US-6696551-B1 RADIOIMMUNOTHERAPY, DECONTAMINATION AND DETOXIFICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-02-24 US 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 (2 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-20100234450-A1 Molecular targeting agents CD2BP2, CD47, ANXA6 PLA2G10 4240/4885PLA2G5 3725/4885CHRM2 4849/4885
US-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use APEH, DOHH, DDAH1 PLA2G10 3019/4885PLA2G5 2400/4885CHRM2 2524/4885

“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.