SCHEMBL18816623

SCHEMBL18816623

CCOCCOCCOc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
KDM4E B2RXH2 8/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
NCF1 P14598 1/20 0.65
LMNA P02545 10/20 0.64
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 3/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL6031547 0.92 KDM4E (0.79) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL29357142 0.92 KDM4E (0.79) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL14825073 0.91 MAPT (0.70) MAPTKDM4ECYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9438985 0.86 MAPT (0.68) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL18844291 0.84 MAPT (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5170654 0.84 MAPT (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4947880 0.84 KDM4E (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL18816619 0.84 MAPT (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15533104 0.84 MAPT (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL27858514 0.84 KDM4E (0.69) MAPTKDM4ECYP1A2CYP3A4CYP2C9

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-9855280-B2 Nanoparticles containing azolium and N-heterocyclic carbene compounds and use thereof NATIONAL DONG HWA UNIVERSITY (TW) 2018-01-02 US disclosed
US-20170129907-A1 NANOPARTICLES CONTAINING AZOLIUM AND N-HETEROCYCLIC CARBENE COMPOUNDS AND USE THEREOF NATIONAL DONG HWA UNIVERSITY (TW) 2017-05-11 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-20170129907-A1 NANOPARTICLES CONTAINING AZOLIUM AND N-HETEROCYCLIC CARBENE COMPOUNDS AND USE THEREOF CCNL2, MUC1, H1-10 MAPT 2606/4885KDM4E 1524/4885CYP1A2 747/4885

“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.