SCHEMBL22078680

SCHEMBL22078680

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(ccc6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c65)c4c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRF P10586 6/20 0.33
PTPN2 P17706 6/20 0.33
PTPN1 P18031 6/20 0.33
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CHEK2 O96017 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 3/20 0.32
PTGER4 P35408 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
BRCA1 P38398 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL22078716 0.96 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL24264587 0.96 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078428 0.94 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078718 0.94 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078689 0.94 KDM4E (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078686 0.94 KDM4E (0.34) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL24264588 0.93 ALDH1A1 (0.35) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078691 0.92 PLA2G2A (0.31) ALDH1A1TSHRHPGDPTPRFPTPN2
SCHEMBL22079081 0.92 MAPT (0.32) ALDH1A1TSHRHPGDKDM4EATM
SCHEMBL22078721 0.91 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4EATM

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 ALDH1A1 1293/4885TSHR 1743/4885HPGD 2790/4885

“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.