SCHEMBL13014173

SCHEMBL13014173

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CACNA1H O95180 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 4/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 2/20 0.36
MAPT P10636 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
SCHEMBL19598771 1.00 PLA2G10 (0.39) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL25727802 1.00 PLA2G10 (0.39) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL27147241 0.89 PLA2G10 (0.41) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL3470166 0.89 PLA2G10 (0.41) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL3799622 0.89 PLA2G10 (0.41) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL15367404 0.85 HTR1A (0.42) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL13659005 0.85 PLA2G10 (0.40) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL13160713 0.85 PLA2G10 (0.40) PLA2G10PLA2G5ALDH1A1CACNA1HKDM4E
SCHEMBL19598770 0.84 PLA2G10 (0.38) PLA2G10PLA2G5ALDH1A1CACNA1HCHRM2
SCHEMBL20678135 0.83 GLA (0.43) PLA2G10PLA2G5CACNA1HCHRM2CHRM4

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-9115094-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2015-08-25 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 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 (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-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 PLA2G10 3991/4885PLA2G5 3372/4885ALDH1A1 3456/4885

“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.