SCHEMBL17044693

SCHEMBL17044693

NNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)cc3)cc(-c3ccc(C(=O)NN)cc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.61
CYP3A4 P08684 2/20 0.61
BLM P54132 2/20 0.61
KDM5A P29375 1/20 0.61
GFER P55789 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
LMNA P02545 2/20 0.59
OGG1 O15527 1/20 0.59
CYP1A2 P05177 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53

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
SCHEMBL752600 0.93 MPO (0.70) MPOCYP3A4BLMKDM5AGFER
SCHEMBL12366809 0.86 KDM4E (0.66) MPOCYP3A4BLMKDM5AGFER
SCHEMBL2678949 0.85 MPO (0.80) MPOCYP3A4BLMKDM5AGFER
SCHEMBL343630 0.85 MPO (0.80) MPOCYP3A4BLMKDM5AGFER
SCHEMBL1706875 0.84 NPC1 (0.67) MPOCYP3A4BLMKDM5AGFER
SCHEMBL5480869 0.84 MPO (0.87) MPOCYP3A4BLMKDM5AGFER
SCHEMBL9386909 0.84 MPO (0.59) MPOCYP3A4BLMKDM5AGFER
SCHEMBL28188923 0.83 MPO (0.76) MPOCYP3A4BLMKDM5AGFER
SCHEMBL14238637 0.83 ALDH1A1 (0.60) MPOCYP3A4BLMKDM5AGFER
Hydrochloric Acid SCHEMBL5804936 0.83 NPC1 (0.64) MPOCYP3A4BLMKDM5AGFER

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-9972790-B2 Anthracene derivative, and light-emitting material, light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-15 US disclosed
US-20150249220-A1 ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING MATERIAL, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2015-09-03 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-20150249220-A1 ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING MATERIAL, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE SAME CRY1, CYP1A1, CRY2 MPO 1806/4885CYP3A4 154/4885BLM 440/4885

“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.