SCHEMBL22078298

SCHEMBL22078298

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc5c(cc34)oc3cc(-n4c6ccccc6c6c(-c7ccccc7)cccc64)ccc35)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 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
SCHEMBL22352692 0.98 PTGER4 (0.34) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL22078789 0.97 PTGER4 (0.33) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL27016604 0.97 PTGER4 (0.34) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL22352243 0.95 PTGER4 (0.33) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL24216306 0.95 PTGER4 (0.35) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL24217257 0.94 PTGER4 (0.32) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL24264604 0.94 PRKDC (0.33) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL27017075 0.94 PTGER4 (0.38) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL21666806 0.93 PTGER4 (0.34) PTGER4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL27333142 0.93 PTGER4 (0.36) PTGER4KDM4EL3MBTL1ALDH1A1MAPT

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-20220056048-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-02-24 US disclosed
WO-2020116800-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-11 WO 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-20220056048-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, ARRB1 PTGER4 1480/4885KDM4E 3925/4885L3MBTL1 877/4885

“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.