SCHEMBL21453324

SCHEMBL21453324

CC(C)(C)Cc1ccc2c(c1)c1ncccc1n2-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
MAT2A P31153 4/20 0.31
KDM4E B2RXH2 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 2/20 0.30
CYP3A4 P08684 1/20 0.30
ABCC1 P33527 1/20 0.30
BRD4 O60885 1/20 0.30
MITF O75030 1/20 0.30
GRM4 Q14833 2/20 0.30
CYP1A2 P05177 1/20 0.30
COMT P21964 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL21453321 0.86 FFAR4 (0.36) RORCMAT2AKDM4EL3MBTL1RAB9A
SCHEMBL21453322 0.86 RORC (0.34) RORCL3MBTL1NPC1
SCHEMBL21453326 0.84 CYP1A2 (0.41) RORCMAT2ACYP3A4CYP1A2
SCHEMBL21453320 0.84 RORC (0.33) RORCCYP3A4ABCC1CYP1A2
SCHEMBL21453328 0.83 PTGDR2 (0.39) RORC
SCHEMBL26998656 0.68 KDM4E (0.46) RORCKDM4EL3MBTL1CYP3A4CYP1A2
SCHEMBL22177168 0.68 KDM4E (0.55) KDM4EL3MBTL1CYP3A4CYP1A2HTT
SCHEMBL9968190 0.67
SCHEMBL24272555 0.67 KDM4E (0.44) MAT2AKDM4EL3MBTL1CYP3A4CYP1A2
SCHEMBL21453318 0.67 CYP1A2 (0.41) MAT2ACYP3A4CYP1A2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 RORC 3456/4885MAT2A 4479/4885KDM4E 3411/4885

“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.