SCHEMBL22944879

SCHEMBL22944879

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3oc4ccccc4c23)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
HIF1A Q16665 2/20 0.36
TP53 P04637 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
PDE6D O43924 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL22946058 0.95 PDE6D (0.36) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22945049 0.93 PDE6D (0.32) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22946000 0.93 PDE6D (0.37) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22944832 0.91 BRDT (0.34)
SCHEMBL22944729 0.90 PDE6D (0.34) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22944873 0.89 ALOX5 (0.38) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22944874 0.88 PDE6D (0.34) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22944823 0.88
SCHEMBL22944886 0.86 PDE6D (0.44) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL26737196 0.86 PDE6D (0.37) ALDH1A1HPGDHSD17B10TSHRMAPK1

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 ALDH1A1 271/4885HPGD 2943/4885HSD17B10 1212/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885HPGD 2943/4885HSD17B10 1212/4885

“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.