SCHEMBL22944801

SCHEMBL22944801

c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM3 Q86V86 1/20 0.30
ALOX5 P09917 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
SCHEMBL22945054 0.97 PDE6D (0.34) PDE6DCYP1A2ALDH1A1TP53HPGD
SCHEMBL22945334 0.94 PDE6D (0.37) PDE6DALDH1A1TP53HPGDTSHR
SCHEMBL22945629 0.94 PDE6D (0.32) PDE6DALDH1A1TP53HPGDTSHR
SCHEMBL22945488 0.94 S1PR5 (0.33) PDE6DALDH1A1TP53HPGDTSHR
SCHEMBL22945977 0.93 PDE6D (0.38) PDE6DALDH1A1TP53HPGDTSHR
SCHEMBL22945179 0.93 PDE6D (0.39) PDE6DCYP1A2ALDH1A1TP53HPGD
SCHEMBL22945055 0.92 PDE6D (0.31) PDE6D
SCHEMBL22945640 0.92 PDE6D (0.35) PDE6D
SCHEMBL22945487 0.91 ALOX5 (0.37) PDE6DALOX5
SCHEMBL15089014 0.90 PDE6D (0.37) PDE6DCYP1A2ALDH1A1TP53HPGD

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 342/4885CYP1A2 206/4885ALDH1A1 271/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885CYP1A2 206/4885ALDH1A1 271/4885

“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.