SCHEMBL22945937

SCHEMBL22945937

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1ccc(-c2nc(-c3cccc4cccnc34)c3oc4ccccc4c3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.33
TSHR P16473 5/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 5/20 0.33
MEN1 O00255 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 9/20 0.32
POLB P06746 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 2/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
USP2 O75604 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
SCHEMBL22945570 0.93 PDE6D (0.35) PDE6DTSHRGRM4ALDH1A1KMT2A
SCHEMBL22945938 0.89 PDE6D (0.33) PDE6DTSHRGRM4ALDH1A1KMT2A
SCHEMBL21515315 0.88 MAPT (0.41) PDE6DTSHRALDH1A1KMT2ALMNA
SCHEMBL22945729 0.88 PDE6D (0.33) PDE6DTSHRGRM4ALDH1A1KMT2A
SCHEMBL22945048 0.88 PDE6D (0.33) PDE6DTSHRALDH1A1KMT2ALMNA
SCHEMBL22945710 0.87 PRKDC (0.35) PDE6DTSHRALDH1A1KMT2ALMNA
SCHEMBL22945941 0.87 GRM4 (0.31) GRM4
SCHEMBL22944910 0.86 TSHR (0.34) TSHRGRM4ALDH1A1LMNAKDM4E
SCHEMBL22944919 0.85 TSHR (0.32) TSHRGRM4ALDH1A1KDM4EMAPT
SCHEMBL22945687 0.84 PDE6D (0.39) PDE6DALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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 (2 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 PDE6D 342/4885TSHR 716/4885GRM4 2678/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885TSHR 716/4885GRM4 2678/4885

“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.